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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[3-[4-(1-piperazinyl)phenyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[3-(4-piperazinophenyl)phenyl]pyrrolidine-2-carboxamide Formula: C24H29N5O MolecularWeight: 403.51996

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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)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O/c1-18-15-23(24(30)27-10-9-25)29(17-18)22-4-2-3-20(16-22)19-5-7-21(8-6-19)28-13-11-26-12-14-28/h2-8,16,18,23,26H,10-15,17H2,1H3,(H,27,30)