6-(2-methylpropyl)-2-phenyl-11-(2-piperidin-1-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 6-(2-methylpropyl)-2-phenyl-11-(2-piperidin-1-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-isobutyl-2-phenyl-11-[2-(1-piperidyl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-(2-methylpropyl)-11-[1-oxo-2-(1-piperidinyl)ethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-(2-methylpropyl)-2-phenyl-11-(2-piperidin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-isobutyl-2-phenyl-11-(2-piperidinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCCC5

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCCC5

InChI

InChI=1S/C28H31N5O2/c1-20(2)18-32-23-13-7-8-14-24(23)33(25(34)19-31-15-9-4-10-16-31)27-22(28(32)35)17-29-26(30-27)21-11-5-3-6-12-21/h3,5-8,11-14,17,20H,4,9-10,15-16,18-19H2,1-2H3