N-(1-cyanocyclopropyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1-cyanocyclopropyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: N-(1-cyanocyclopropyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide CAS Name: N-(1-cyanocyclopropyl)-4-methyl-1-[3-[4-(1-piperazinyl)phenyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1-cyanocyclopropyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: N-(1-cyanocyclopropyl)-4-methyl-1-[3-(4-piperazinophenyl)phenyl]pyrrolidine-2-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NC5(CC5)C#N

Isomeric SMILES

CC1CC(N(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NC5(CC5)C#N

InChI

InChI=1S/C26H31N5O/c1-19-15-24(25(32)29-26(18-27)9-10-26)31(17-19)23-4-2-3-21(16-23)20-5-7-22(8-6-20)30-13-11-28-12-14-30/h2-8,16,19,24,28H,9-15,17H2,1H3,(H,29,32)