2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 2-methoxy-11-[2-(1-pyrrolidinyl)ethyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 2-methoxy-11-(2-pyrrolidinoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(CCN4CCCC4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(CCN4CCCC4)C#N

InChI

InChI=1S/C22H24N2OS/c1-25-18-8-9-21-20(14-18)22(16-23,10-13-24-11-4-5-12-24)19-7-3-2-6-17(19)15-26-21/h2-3,6-9,14H,4-5,10-13,15H2,1H3