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

Systemtic Name: 6-butan-2-yl-11-(2-chloranylethanoyl)-2-phenyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Openeye Name: 11-(2-chloroacetyl)-2-phenyl-6-sec-butyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one CAS Name: 6-butan-2-yl-11-(2-chloro-1-oxoethyl)-2-phenyl-5-pyrimido[5,4-c][1,5]benzodiazepinone IUPAC Name: 6-butan-2-yl-11-(2-chloroacetyl)-2-phenylpyrimido[5,4-c][1,5]benzodiazepin-5-one Traditional Name: 11-(2-chloroacetyl)-2-phenyl-6-sec-butyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2/c1-3-15(2)27-18-11-7-8-12-19(18)28(20(29)13-24)22-17(23(27)30)14-25-21(26-22)16-9-5-4-6-10-16/h4-12,14-15H,3,13H2,1-2H3