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

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

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CCl

InChI

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