3-methoxy-N-(2-methyl-1-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide

Systemtic Name: 3-methoxy-N-(2-methyl-1-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide Openeye Name: 3-methoxy-N-(2-methyl-1-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide CAS Name: 3-methoxy-N-(2-methyl-1-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide IUPAC Name: 3-methoxy-N-(2-methyl-1-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide Traditional Name: N-(1-keto-2-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)-3-methoxy-benzamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(N=C(C3=CC=CC=C3N2C1=O)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CN=C2C(N=C(C3=CC=CC=C3N2C1=O)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22N4O3/c1-17-16-28-25-24(30-26(32)19-11-8-12-20(15-19)34-2)29-23(18-9-4-3-5-10-18)21-13-6-7-14-22(21)31(25)27(17)33/h3-16,24H,1-2H3,(H,30,32)