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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)C4=CC=CC=C4)C)N5CCNCC5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)C4=CC=CC=C4)C)N5CCNCC5

InChI

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