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

Systemtic Name: 1-[4-chloranyl-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide CAS Name: 1-[4-chloro-3-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide Traditional Name: 1-[4-chloro-3-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Formula: C24H28ClN5O MolecularWeight: 437.96502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O/c1-17-14-23(24(31)28-9-8-26)30(16-17)20-6-7-22(25)21(15-20)18-2-4-19(5-3-18)29-12-10-27-11-13-29/h2-7,15,17,23,27H,9-14,16H2,1H3,(H,28,31)