6-tert-butyl-2-phenyl-11-(2-piperidin-1-ylethanoyl)pyrimido[5,4-c][1,5]benzodiazepin-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2/c1-28(2,3)33-23-15-9-8-14-22(23)32(24(34)19-31-16-10-5-11-17-31)26-21(27(33)35)18-29-25(30-26)20-12-6-4-7-13-20/h4,6-9,12-15,18H,5,10-11,16-17,19H2,1-3H3