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

Systemtic Name: 6-methyl-2-phenyl-11-(2-piperidin-1-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-methyl-2-phenyl-11-[2-(1-piperidyl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-methyl-11-[1-oxo-2-(1-piperidinyl)ethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-methyl-2-phenyl-11-(2-piperidin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-methyl-2-phenyl-11-(2-piperidinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C25H25N5O2 MolecularWeight: 427.4983

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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)CN5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2/c1-28-20-12-6-7-13-21(20)30(22(31)17-29-14-8-3-9-15-29)24-19(25(28)32)16-26-23(27-24)18-10-4-2-5-11-18/h2,4-7,10-13,16H,3,8-9,14-15,17H2,1H3