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

Systemtic Name: 2-cyclohexyl-7-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-cyclohexyl-7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-m-anisoyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCCNCC4)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCCNCC4)C5CCCCC5

InChI

InChI=1S/C29H36N4O4/c1-37-23-10-5-9-21(17-23)29(36)33-25-12-11-22(28(35)32-15-6-13-30-14-16-32)18-24(25)31-27(34)19-26(33)20-7-3-2-4-8-20/h5,9-12,17-18,20,26,30H,2-4,6-8,13-16,19H2,1H3,(H,31,34)