1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-(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=C(C=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)Cl)C(=O)NCC#N

Isomeric SMILES

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

InChI

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