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

Systemtic Name: 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-2-phenyl-6-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-isopropyl-11-[2-(4-methylpiperazin-1-yl)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-2-phenyl-6-propan-2-yl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-2-phenyl-6-propan-2-ylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-isopropyl-11-[2-(4-methylpiperazino)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C27H30N6O2 MolecularWeight: 470.5661

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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)CN5CCN(CC5)C

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCN(CC5)C

InChI

InChI=1S/C27H30N6O2/c1-19(2)32-22-11-7-8-12-23(22)33(24(34)18-31-15-13-30(3)14-16-31)26-21(27(32)35)17-28-25(29-26)20-9-5-4-6-10-20/h4-12,17,19H,13-16,18H2,1-3H3