4-chloranyl-N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-phenyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-phenyl-benzamide Openeye Name: 4-chloro-N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-phenyl-benzamide CAS Name: 4-chloro-N-[4-[4-[(3-cyanophenyl)methyl]-1-piperazinyl]phenyl]-2-phenylbenzamide IUPAC Name: 4-chloro-N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-phenylbenzamide Traditional Name: 4-chloro-N-[4-[4-(3-cyanobenzyl)piperazino]phenyl]-2-phenyl-benzamide Formula: C31H27ClN4O MolecularWeight: 507.02528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H27ClN4O/c32-26-9-14-29(30(20-26)25-7-2-1-3-8-25)31(37)34-27-10-12-28(13-11-27)36-17-15-35(16-18-36)22-24-6-4-5-23(19-24)21-33/h1-14,19-20H,15-18,22H2,(H,34,37)