English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

N90

Summary

Name:	1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
Synonyms:	Cinnarizine
Formula:	C26 H28 N2
Formal charge:	0
Formula weight:	368.514 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
OpenEye OEToolkits	2.0.7	1-(diphenylmethyl)-4-[(~{E})-3-phenylprop-2-enyl]piperazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1
InChI	InChI	1.03	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
InChIKey	InChI	1.03	DERZBLKQOCDDDZ-JLHYYAGUSA-N
SMILES_CANONICAL	CACTVS	3.385	C1CN(CCN1C/C=C/c2ccccc2)C(c3ccccc3)c4ccccc4
SMILES	CACTVS	3.385	C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4

221371

PDB entries from 2024-06-19

PDB statistics

PDBj update info

Contact PDBj

numon