5-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine

Systemtic Name: 5-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine Openeye Name: 3-(4-methylpiperazin-1-yl)-5-(p-tolyl)-6H-pyridazino[3,4-b][1,4]benzoxazepine CAS Name: 5-(4-methylphenyl)-3-(4-methyl-1-piperazinyl)-6H-pyridazino[3,4-b][1,4]benzoxazepine IUPAC Name: 5-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine Traditional Name: 3-(4-methylpiperazino)-5-(p-tolyl)-6H-pyridazino[3,4-b][1,4]benzoxazepine Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC3=CC=CC=C3OC4=NN=C(C=C42)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC3=CC=CC=C3OC4=NN=C(C=C42)N5CCN(CC5)C

InChI

InChI=1S/C23H25N5O/c1-17-7-9-19(10-8-17)28-16-18-5-3-4-6-21(18)29-23-20(28)15-22(24-25-23)27-13-11-26(2)12-14-27/h3-10,15H,11-14,16H2,1-2H3