6-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepine-3-carbonitrile

Systemtic Name: 6-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepine-3-carbonitrile Openeye Name: 6-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepine-3-carbonitrile CAS Name: 6-(4-methyl-1-piperazinyl)-3-benzo[b][1]benzothiepincarbonitrile IUPAC Name: 6-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepine-3-carbonitrile Traditional Name: 6-(4-methylpiperazino)benzo[b][1]benzothiepin-3-carbonitrile Formula: C20H19N3S MolecularWeight: 333.44996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC(=C3)C#N)SC4=CC=CC=C42

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC(=C3)C#N)SC4=CC=CC=C42

InChI

InChI=1S/C20H19N3S/c1-22-8-10-23(11-9-22)18-13-16-12-15(14-21)6-7-19(16)24-20-5-3-2-4-17(18)20/h2-7,12-13H,8-11H2,1H3