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

Systemtic Name: 11-(2-chloranylethanoyl)-2-phenyl-6-propan-2-yl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Openeye Name: 11-(2-chloroacetyl)-6-isopropyl-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one CAS Name: 11-(2-chloro-1-oxoethyl)-2-phenyl-6-propan-2-yl-5-pyrimido[5,4-c][1,5]benzodiazepinone IUPAC Name: 11-(2-chloroacetyl)-2-phenyl-6-propan-2-ylpyrimido[5,4-c][1,5]benzodiazepin-5-one Traditional Name: 11-(2-chloroacetyl)-6-isopropyl-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

InChI

InChI=1S/C22H19ClN4O2/c1-14(2)26-17-10-6-7-11-18(17)27(19(28)12-23)21-16(22(26)29)13-24-20(25-21)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3