N-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide

Systemtic Name: N-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide Openeye Name: N-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide CAS Name: N-[4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-cyanophenyl]-2-ethylbutanamide IUPAC Name: N-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-cyanophenyl]-2-ethylbutanamide Traditional Name: N-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-cyano-phenyl]-2-ethyl-butyramide Formula: C30H33ClN4O MolecularWeight: 501.06222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C30H33ClN4O/c1-3-22(4-2)30(36)33-27-14-15-28(25(20-27)21-32)34-16-18-35(19-17-34)29(23-8-6-5-7-9-23)24-10-12-26(31)13-11-24/h5-15,20,22,29H,3-4,16-19H2,1-2H3,(H,33,36)