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

Systemtic Name: 6-methyl-2-phenyl-11-(2-pyrrolidin-1-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-methyl-2-phenyl-11-(2-pyrrolidin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-methyl-11-[1-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-methyl-2-phenyl-11-(2-pyrrolidin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-methyl-2-phenyl-11-(2-pyrrolidinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCC5

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCC5

InChI

InChI=1S/C24H23N5O2/c1-27-19-11-5-6-12-20(19)29(21(30)16-28-13-7-8-14-28)23-18(24(27)31)15-25-22(26-23)17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14,16H2,1H3