5-methyl-3-(4-methylphenyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]pyridazino[4,5-b]indole-1-carboxamide

Systemtic Name: 5-methyl-3-(4-methylphenyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]pyridazino[4,5-b]indole-1-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carboxamide CAS Name: 5-methyl-3-(4-methylphenyl)-4-oxo-N-[1-(phenylmethyl)-4-piperidinyl]-1-pyridazino[4,5-b]indolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carboxamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H31N5O2/c1-21-12-14-24(15-13-21)36-31(38)29-27(25-10-6-7-11-26(25)34(29)2)28(33-36)30(37)32-23-16-18-35(19-17-23)20-22-8-4-3-5-9-22/h3-15,23H,16-20H2,1-2H3,(H,32,37)