2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)NC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCN(CC)C(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)NC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C25H31N5O3/c1-6-29(7-2)21(31)15-30-22-17(4)11-9-13-20(22)18(5)26-23(24(30)32)28-25(33)27-19-12-8-10-16(3)14-19/h8-14,23H,6-7,15H2,1-5H3,(H2,27,28,33)