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

Systemtic Name: N-[3-cyano-4-[4-[(2-methoxyphenyl)-phenyl-methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-4-[4-[(2-methoxyphenyl)-phenyl-methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-[4-[(2-methoxyphenyl)-phenylmethyl]-1-piperazinyl]phenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-4-[4-[(2-methoxyphenyl)-phenylmethyl]piperazin-1-yl]phenyl]-2-ethylbutanamide Traditional Name: N-[3-cyano-4-[4-[(2-methoxyphenyl)-phenyl-methyl]piperazino]phenyl]-2-ethyl-butyramide Formula: C31H36N4O2 MolecularWeight: 496.64314

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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=CC=C4OC)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4OC)C#N

InChI

InChI=1S/C31H36N4O2/c1-4-23(5-2)31(36)33-26-15-16-28(25(21-26)22-32)34-17-19-35(20-18-34)30(24-11-7-6-8-12-24)27-13-9-10-14-29(27)37-3/h6-16,21,23,30H,4-5,17-20H2,1-3H3,(H,33,36)