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

Systemtic Name: 11-(2-chloranylethanoyl)-6-ethyl-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Openeye Name: 11-(2-chloroacetyl)-6-ethyl-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one CAS Name: 11-(2-chloro-1-oxoethyl)-6-ethyl-2-phenyl-5-pyrimido[5,4-c][1,5]benzodiazepinone IUPAC Name: 11-(2-chloroacetyl)-6-ethyl-2-phenylpyrimido[5,4-c][1,5]benzodiazepin-5-one Traditional Name: 11-(2-chloroacetyl)-6-ethyl-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

Isomeric SMILES

CCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

InChI

InChI=1S/C21H17ClN4O2/c1-2-25-16-10-6-7-11-17(16)26(18(27)12-22)20-15(21(25)28)13-23-19(24-20)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3