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Summary Geometry Related PDB entries

7PQ

Summary

Name:	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C24 H27 N3 O2
Formal charge:	0
Formula weight:	389.49 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
OpenEye OEToolkits	1.7.6	4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CN)cc4
InChI	InChI	1.03	InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)
InChIKey	InChI	1.03	LJXMOYXCVXIDDM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	NCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4
SMILES	CACTVS	3.370	NCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN

222415

PDB entries from 2024-07-10

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