N-(2-dimethylaminoethyl)-2-[1-(2,2-dimethylpropanoyl)-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-[1-(2,2-dimethylpropanoyl)-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methyl-ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-[1-(2,2-dimethylpropanoyl)-3-(m-tolylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methyl-acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[1-(2,2-dimethyl-1-oxopropyl)-3-[[(3-methylanilino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methylacetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-[1-(2,2-dimethylpropanoyl)-3-[(3-methylphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methylacetamide Traditional Name: N-(2-dimethylaminoethyl)-2-[4-keto-3-(m-tolylcarbamoylamino)-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-methyl-acetamide Formula: C29H40N6O4 MolecularWeight: 536.6657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)N(C)CCN(C)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)N(C)CCN(C)C)C(=O)C(C)(C)C

InChI

InChI=1S/C29H40N6O4/c1-20-11-10-12-21(17-20)30-28(39)31-22-18-35(27(38)29(2,3)4)24-14-9-8-13-23(24)34(26(22)37)19-25(36)33(7)16-15-32(5)6/h8-14,17,22H,15-16,18-19H2,1-7H3,(H2,30,31,39)