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

Systemtic Name: 4-(4-butoxyphenyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butoxyphenyl)-oxomethyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H27FN2O3 MolecularWeight: 446.513283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

InChI

InChI=1S/C27H27FN2O3/c1-3-4-15-33-22-12-8-20(9-13-22)27(32)30-17-25(31)29-24-14-5-18(2)16-23(24)26(30)19-6-10-21(28)11-7-19/h5-14,16,26H,3-4,15,17H2,1-2H3,(H,29,31)