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

Systemtic Name: 3-chloranyl-N-(1-methyl-3-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide Openeye Name: 3-chloro-N-(1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide CAS Name: 3-chloro-N-(1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide IUPAC Name: 3-chloro-N-(1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide Traditional Name: 3-chloro-N-(3-keto-1-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-5-yl)benzamide Formula: C26H19ClN4O2 MolecularWeight: 454.90766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C3=CC=CC=C3C(=NC2NC(=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)N=C2N1C3=CC=CC=C3C(=NC2NC(=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4O2/c1-16-14-22(32)28-25-24(30-26(33)18-10-7-11-19(27)15-18)29-23(17-8-3-2-4-9-17)20-12-5-6-13-21(20)31(16)25/h2-15,24H,1H3,(H,30,33)