1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(phenylmethyl)piperazine-2,5-dione Openeye Name: 4-benzyl-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 4-benzyl-1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione Traditional Name: 4-benzyl-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-quinone Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3)C4CCCCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3)C4CCCCCC4)OC

InChI

InChI=1S/C27H34N2O4/c1-3-33-23-16-15-21(17-24(23)32-2)26-27(31)28(22-13-9-4-5-10-14-22)19-25(30)29(26)18-20-11-7-6-8-12-20/h6-8,11-12,15-17,22,26H,3-5,9-10,13-14,18-19H2,1-2H3