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

Systemtic Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-acetamide CAS Name: 2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethylacetamide IUPAC Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethylacetamide Traditional Name: N-ethyl-2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-5-24-19(29)13-28-20-15(3)9-7-11-18(20)16(4)25-21(22(28)30)27-23(31)26-17-10-6-8-14(2)12-17/h6-12,21H,5,13H2,1-4H3,(H,24,29)(H2,26,27,31)