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

Systemtic Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)ethanoyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-butyl-11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)acetyl]-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-butyl-11-[2-(4-methylpiperazino)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCN(CC5)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN5CCN(CC5)C

InChI

InChI=1S/C28H32N6O2/c1-3-4-14-33-23-12-8-9-13-24(23)34(25(35)20-32-17-15-31(2)16-18-32)27-22(28(33)36)19-29-26(30-27)21-10-6-5-7-11-21/h5-13,19H,3-4,14-18,20H2,1-2H3