N-[3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide

Systemtic Name: N-[3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]phenyl]-3-methyl-N-(p-tolylmethyl)butanamide CAS Name: N-[3-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: N-[3-[2-(4-acetylpiperazino)-2-keto-ethyl]phenyl]-3-methyl-N-(4-methylbenzyl)butyramide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CC(=O)N3CCN(CC3)C(=O)C)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CC(=O)N3CCN(CC3)C(=O)C)C(=O)CC(C)C

InChI

InChI=1S/C27H35N3O3/c1-20(2)16-27(33)30(19-23-10-8-21(3)9-11-23)25-7-5-6-24(17-25)18-26(32)29-14-12-28(13-15-29)22(4)31/h5-11,17,20H,12-16,18-19H2,1-4H3