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

Systemtic Name: 1-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]-N-phenyl-isonipecotamide Formula: C27H28FN5O2 MolecularWeight: 473.541923

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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)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C27H28FN5O2/c1-18-19(2)33(23-10-6-7-21(28)15-23)26(24(18)16-29)31-25(34)17-32-13-11-20(12-14-32)27(35)30-22-8-4-3-5-9-22/h3-10,15,20H,11-14,17H2,1-2H3,(H,30,35)(H,31,34)