5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CC(=O)N3CCCCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CC(=O)N3CCCCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-19-17-27(25(31)20-11-5-4-6-12-20)21-13-7-8-14-22(21)28(24(19)30)18-23(29)26-15-9-2-3-10-16-26/h4-8,11-14,19H,2-3,9-10,15-18H2,1H3