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

Systemtic Name: 6-ethyl-2-phenyl-11-(2-piperazin-1-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-ethyl-2-phenyl-11-(2-piperazin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-ethyl-11-[1-oxo-2-(1-piperazinyl)ethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-ethyl-2-phenyl-11-(2-piperazin-1-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-ethyl-2-phenyl-11-(2-piperazinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCNCC5

Isomeric SMILES

CCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCNCC5

InChI

InChI=1S/C25H26N6O2/c1-2-30-20-10-6-7-11-21(20)31(22(32)17-29-14-12-26-13-15-29)24-19(25(30)33)16-27-23(28-24)18-8-4-3-5-9-18/h3-11,16,26H,2,12-15,17H2,1H3