1-[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]amino]-2-oxo-ethyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]amino]-2-keto-ethyl]-N-phenyl-isonipecotamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CS4)C

InChI

InChI=1S/C26H29N5O2S/c1-18-19(2)31(16-22-9-6-14-34-22)25(23(18)15-27)29-24(32)17-30-12-10-20(11-13-30)26(33)28-21-7-4-3-5-8-21/h3-9,14,20H,10-13,16-17H2,1-2H3,(H,28,33)(H,29,32)