2-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[2-oxo-5-phenyl-3-(p-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-(4-pyridyl)acetamide CAS Name: 2-[3-[[(4-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-ylacetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-ylacetamide Traditional Name: 2-[2-keto-5-phenyl-3-(p-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-(4-pyridyl)acetamide Formula: C30H26N6O3 MolecularWeight: 518.56584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)NC5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)NC5=CC=NC=C5

InChI

InChI=1S/C30H26N6O3/c1-20-11-13-22(14-12-20)33-30(39)35-28-29(38)36(19-26(37)32-23-15-17-31-18-16-23)25-10-6-5-9-24(25)27(34-28)21-7-3-2-4-8-21/h2-18,28H,19H2,1H3,(H,31,32,37)(H2,33,35,39)