N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxo-piperazin-1-yl]-2-oxo-ethyl]pyrazol-4-yl]-4-oxo-4-phenyl-butanamide CAS Name: N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxo-1-piperazinyl]-2-oxoethyl]-4-pyrazolyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide Traditional Name: N-[1-[2-[4-(3,5-dimethylphenyl)-3-keto-piperazino]-2-keto-ethyl]pyrazol-4-yl]-4-keto-4-phenyl-butyramide Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(=O)CN3C=C(C=N3)NC(=O)CCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(=O)CN3C=C(C=N3)NC(=O)CCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29N5O4/c1-19-12-20(2)14-23(13-19)32-11-10-30(17-27(32)36)26(35)18-31-16-22(15-28-31)29-25(34)9-8-24(33)21-6-4-3-5-7-21/h3-7,12-16H,8-11,17-18H2,1-2H3,(H,29,34)