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

Systemtic Name: N-tert-butyl-2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide CAS Name: N-tert-butyl-2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide Traditional Name: N-tert-butyl-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:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)NC(C)(C)C

InChI

InChI=1S/C25H31N5O3/c1-15-9-7-11-18(13-15)27-24(33)28-22-23(32)30(14-20(31)29-25(4,5)6)21-16(2)10-8-12-19(21)17(3)26-22/h7-13,22H,14H2,1-6H3,(H,29,31)(H2,27,28,33)