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

Systemtic Name: 2-phenyl-11-(2-piperidin-1-ylethanoyl)-6-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-isopropyl-2-phenyl-11-[2-(1-piperidyl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-[1-oxo-2-(1-piperidinyl)ethyl]-2-phenyl-6-propan-2-yl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 2-phenyl-11-(2-piperidin-1-ylacetyl)-6-propan-2-ylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-isopropyl-2-phenyl-11-(2-piperidinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCCC5

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCCCC5

InChI

InChI=1S/C27H29N5O2/c1-19(2)31-22-13-7-8-14-23(22)32(24(33)18-30-15-9-4-10-16-30)26-21(27(31)34)17-28-25(29-26)20-11-5-3-6-12-20/h3,5-8,11-14,17,19H,4,9-10,15-16,18H2,1-2H3