3-(4-methylpiperazin-1-yl)-1-oxidanylidene-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile

Systemtic Name: 3-(4-methylpiperazin-1-yl)-1-oxidanylidene-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile Openeye Name: 3-(4-methylpiperazin-1-yl)-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile CAS Name: 3-(4-methyl-1-piperazinyl)-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile IUPAC Name: 3-(4-methylpiperazin-1-yl)-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile Traditional Name: 1-keto-3-(4-methylpiperazino)-5,10-dihydro-2H-azepin[3,4-b]indole-4-carbonitrile Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(CC3=C(C(=O)N2)NC4=CC=CC=C34)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(CC3=C(C(=O)N2)NC4=CC=CC=C34)C#N

InChI

InChI=1S/C18H19N5O/c1-22-6-8-23(9-7-22)17-12(11-19)10-14-13-4-2-3-5-15(13)20-16(14)18(24)21-17/h2-5,20H,6-10H2,1H3,(H,21,24)