4-(4-butylcyclohexyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-butylcyclohexyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butylcyclohexyl)-oxomethyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H33FN2O2 MolecularWeight: 436.561523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

InChI

InChI=1S/C27H33FN2O2/c1-3-4-5-19-7-9-21(10-8-19)27(32)30-17-25(31)29-24-15-6-18(2)16-23(24)26(30)20-11-13-22(28)14-12-20/h6,11-16,19,21,26H,3-5,7-10,17H2,1-2H3,(H,29,31)