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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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