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Summary

Name:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
Formula:	C20 H21 N7 O
Formal charge:	0
Formula weight:	375.427 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
OpenEye OEToolkits	2.0.7	2-(benzotriazol-1-yl)-~{N}-[4-(dimethylamino)phenyl]-~{N}-(1~{H}-pyrazol-5-ylmethyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C
InChI	InChI	1.06	InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)
InChIKey	InChI	1.06	NAUKDTRKBNSCDS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C(=O)Cn3nnc4ccccc34
SMILES	CACTVS	3.385	CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C(=O)Cn3nnc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)N(Cc2ccn[nH]2)C(=O)Cn3c4ccccc4nn3
SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)N(Cc2ccn[nH]2)C(=O)Cn3c4ccccc4nn3

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