1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-(phenylmethyl)piperazine-2,5-dione Openeye Name: 4-benzyl-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 4-benzyl-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione Traditional Name: 4-benzyl-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-quinone Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3)C4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3)C4CCCCCC4)OC

InChI

InChI=1S/C26H32N2O4/c1-31-22-15-14-20(16-23(22)32-2)25-26(30)27(21-12-8-3-4-9-13-21)18-24(29)28(25)17-19-10-6-5-7-11-19/h5-7,10-11,14-16,21,25H,3-4,8-9,12-13,17-18H2,1-2H3