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Summary Geometry Related PDB entries

A1IT1

Summary

Name:	(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one
Synonyms:	(3R)-3-[(3R)-4-benzyl-3-phenyl-piperidine-1-carbonyl]indan-1-one
Formula:	C27 H26 N2 O2
Formal charge:	0
Formula weight:	410.508 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C27H26N2O2/c30-26-17-24(22-13-7-8-14-23(22)26)27(31)29-16-15-28(18-20-9-3-1-4-10-20)25(19-29)21-11-5-2-6-12-21/h1-14,24-25H,15-19H2/t24-,25+/m1/s1
InChIKey	InChI	1.06	UTDHFZWVCNRNGD-RPBOFIJWSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C2)c4ccccc4)c5ccccc15
SMILES	CACTVS	3.385	O=C1C[CH](C(=O)N2CCN(Cc3ccccc3)[CH](C2)c4ccccc4)c5ccccc15
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2CCN(C[C@H]2c3ccccc3)C(=O)[C@@H]4CC(=O)c5c4cccc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2CCN(CC2c3ccccc3)C(=O)C4CC(=O)c5c4cccc5

247947

PDB entries from 2026-01-21

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