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

Systemtic Name: 1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-hydroxypyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4-hydroxy-pyrrolidine-2-carboxamide Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O2/c24-20-6-3-17(16-1-4-18(5-2-16)28-11-9-26-10-12-28)13-21(20)29-15-19(30)14-22(29)23(31)27-8-7-25/h1-6,13,19,22,26,30H,8-12,14-15H2,(H,27,31)