1-(3-bromophenyl)carbonyl-2-cyclohexyl-7-(1,4-diazepan-1-ylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-(3-bromophenyl)carbonyl-2-cyclohexyl-7-(1,4-diazepan-1-ylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-bromobenzoyl)-2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(3-bromophenyl)-oxomethyl]-2-cyclohexyl-7-[1,4-diazepan-1-yl(oxo)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3-bromobenzoyl)-2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3-bromobenzoyl)-2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H33BrN4O3 MolecularWeight: 553.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C28H33BrN4O3/c29-22-9-4-8-20(16-22)28(36)33-24-11-10-21(27(35)32-14-5-12-30-13-15-32)17-23(24)31-26(34)18-25(33)19-6-2-1-3-7-19/h4,8-11,16-17,19,25,30H,1-3,5-7,12-15,18H2,(H,31,34)