11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carbonitrile

Systemtic Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carbonitrile Openeye Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carbonitrile CAS Name: 11-(4-methyl-1-piperazinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carbonitrile IUPAC Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carbonitrile Traditional Name: 11-(4-methylpiperazino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carbonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2C3=CC=CC=C3COC4=C2C=C(C=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C2C3=CC=CC=C3COC4=C2C=C(C=C4)C#N

InChI

InChI=1S/C20H21N3O/c1-22-8-10-23(11-9-22)20-17-5-3-2-4-16(17)14-24-19-7-6-15(13-21)12-18(19)20/h2-7,12,20H,8-11,14H2,1H3