4-[(2-chlorophenyl)methyl]-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione Openeye Name: 4-[(2-chlorophenyl)methyl]-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione CAS Name: 4-[(2-chlorophenyl)methyl]-1-cycloheptyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-cycloheptyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione Traditional Name: 4-(2-chlorobenzyl)-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-quinone Formula: C28H35ClN2O4 MolecularWeight: 499.0415

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3Cl)C4CCCCCC4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3Cl)C4CCCCCC4)OC

InChI

InChI=1S/C28H35ClN2O4/c1-3-16-35-24-15-14-20(17-25(24)34-2)27-28(33)30(22-11-6-4-5-7-12-22)19-26(32)31(27)18-21-10-8-9-13-23(21)29/h8-10,13-15,17,22,27H,3-7,11-12,16,18-19H2,1-2H3