N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(3-oxopiperazin-1-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(3-oxo-1-piperazinyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(3-oxopiperazin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(3-ketopiperazino)acetamide Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCNC(=O)C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCNC(=O)C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5O2/c1-13-14(2)24(15-6-4-3-5-7-15)19(16(13)10-20)22-18(26)12-23-9-8-21-17(25)11-23/h3-7H,8-9,11-12H2,1-2H3,(H,21,25)(H,22,26)