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

Systemtic Name: 4-(4-butoxyphenyl)carbonyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butoxyphenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-3-4-16-32-22-13-11-21(12-14-22)27(31)29-18-25(30)28-24-15-10-19(2)17-23(24)26(29)20-8-6-5-7-9-20/h5-15,17,26H,3-4,16,18H2,1-2H3,(H,28,30)