3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-methylidenepentyl)azepane-2,7-dione

Systemtic Name: 3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-methylidenepentyl)azepane-2,7-dione Openeye Name: 3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-methylenepentyl)azepane-2,7-dione CAS Name: 3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-methylenepentyl)azepane-2,7-dione IUPAC Name: 3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-methylidenepentyl)azepane-2,7-dione Traditional Name: 3-cyclohexyl-4-ethyl-5-(4-methylcyclohexyl)-1-(2-propylallyl)azepane-2,7-quinone Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C)CN1C(=O)CC(C(C(C1=O)C2CCCCC2)CC)C3CCC(CC3)C

Isomeric SMILES

CCCC(=C)CN1C(=O)CC(C(C(C1=O)C2CCCCC2)CC)C3CCC(CC3)C

InChI

InChI=1S/C27H45NO2/c1-5-10-20(4)18-28-25(29)17-24(21-15-13-19(3)14-16-21)23(6-2)26(27(28)30)22-11-8-7-9-12-22/h19,21-24,26H,4-18H2,1-3H3