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

Systemtic Name: (2S)-1-[4-chloranyl-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-chloro-3-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-chloro-3-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4-keto-pyrrolidine-2-carboxamide Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3=C(C=CC(=C3)N4CC(=O)CC4C(=O)NCC#N)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=C(C=CC(=C3)N4CC(=O)C[C@H]4C(=O)NCC#N)Cl

InChI

InChI=1S/C23H24ClN5O2/c24-21-6-5-18(29-15-19(30)14-22(29)23(31)27-8-7-25)13-20(21)16-1-3-17(4-2-16)28-11-9-26-10-12-28/h1-6,13,22,26H,8-12,14-15H2,(H,27,31)/t22-/m0/s1