3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[1-[(2-chlorophenyl)methyl]-3-indolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[1-(2-chlorobenzyl)indol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C29H25ClN4O MolecularWeight: 480.988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5Cl)C#N

InChI

InChI=1S/C29H25ClN4O/c30-27-12-6-4-8-22(27)20-34-21-24(26-11-5-7-13-28(26)34)18-23(19-31)29(35)33-16-14-32(15-17-33)25-9-2-1-3-10-25/h1-13,18,21H,14-17,20H2