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

Systemtic Name: 11-(2-piperidin-1-ylethanoyl)-6-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-isopropyl-11-[2-(1-piperidyl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-[1-oxo-2-(1-piperidinyl)ethyl]-6-propan-2-yl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 11-(2-piperidin-1-ylacetyl)-6-propan-2-ylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-isopropyl-11-(2-piperidinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCCCC4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCCCC4

InChI

InChI=1S/C21H25N5O2/c1-15(2)25-17-8-4-5-9-18(17)26(19(27)13-24-10-6-3-7-11-24)20-16(21(25)28)12-22-14-23-20/h4-5,8-9,12,14-15H,3,6-7,10-11,13H2,1-2H3