5-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile

Systemtic Name: 5-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile Openeye Name: 1-(3,4-dimethoxyphenyl)-5-[indan-2-yl(methyl)amino]cyclooctanecarbonitrile CAS Name: 5-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-(3,4-dimethoxyphenyl)-1-cyclooctanecarbonitrile IUPAC Name: 5-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile Traditional Name: 1-(3,4-dimethoxyphenyl)-5-[indan-2-yl(methyl)amino]cyclooctanecarbonitrile Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC(CCC1)(C#N)C2=CC(=C(C=C2)OC)OC)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN(C1CCCC(CCC1)(C#N)C2=CC(=C(C=C2)OC)OC)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C27H34N2O2/c1-29(24-16-20-8-4-5-9-21(20)17-24)23-10-6-14-27(19-28,15-7-11-23)22-12-13-25(30-2)26(18-22)31-3/h4-5,8-9,12-13,18,23-24H,6-7,10-11,14-17H2,1-3H3