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

Systemtic Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[3-[4-(1-piperazinyl)phenyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[3-(4-piperazinophenyl)phenyl]pyrrolidine-2-carboxamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

C1CC(N(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C23H27N5O/c24-10-11-26-23(29)22-5-2-14-28(22)21-4-1-3-19(17-21)18-6-8-20(9-7-18)27-15-12-25-13-16-27/h1,3-4,6-9,17,22,25H,2,5,11-16H2,(H,26,29)