2-dimethylaminoethyl 4-[4-[(4-cyano-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxylate

Systemtic Name: 2-dimethylaminoethyl 4-[4-[(4-cyano-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxylate Openeye Name: 2-dimethylaminoethyl 4-[4-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(4-methyl-1-piperidyl)phenyl]piperidine-1-carboxylate CAS Name: 4-[4-[[(4-cyano-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-methyl-1-piperidinyl)phenyl]-1-piperidinecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[4-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidino)phenyl]piperidine-1-carboxylic acid 2-dimethylaminoethyl ester Formula: C28H38N6O3 MolecularWeight: 506.63972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=CC(=C2)C3CCN(CC3)C(=O)OCCN(C)C)NC(=O)C4=CC(=CN4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C(C=CC(=C2)C3CCN(CC3)C(=O)OCCN(C)C)NC(=O)C4=CC(=CN4)C#N

InChI

InChI=1S/C28H38N6O3/c1-20-6-10-33(11-7-20)26-17-23(4-5-24(26)31-27(35)25-16-21(18-29)19-30-25)22-8-12-34(13-9-22)28(36)37-15-14-32(2)3/h4-5,16-17,19-20,22,30H,6-15H2,1-3H3,(H,31,35)