11-(2-chloranylethanoyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 11-(2-chloranylethanoyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 11-(2-chloroacetyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-(2-chloro-1-oxoethyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one IUPAC Name: 11-(2-chloroacetyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 11-(2-chloroacetyl)-2-phenyl-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C19H13ClN4O2 MolecularWeight: 364.78512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C3C(=O)NC4=CC=CC=C4N(C3=N2)C(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C3C(=O)NC4=CC=CC=C4N(C3=N2)C(=O)CCl

InChI

InChI=1S/C19H13ClN4O2/c20-10-16(25)24-15-9-5-4-8-14(15)22-19(26)13-11-21-17(23-18(13)24)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,22,26)