(2S)-2-(azepan-1-yl)-8b-ethanoyl-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile

Systemtic Name: (2S)-2-(azepan-1-yl)-8b-ethanoyl-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile Openeye Name: (2S)-8b-acetyl-2-(azepan-1-yl)-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile CAS Name: (2S)-8b-acetyl-2-(1-azepanyl)-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile IUPAC Name: (2S)-8b-acetyl-2-(azepan-1-yl)-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile Traditional Name: (2S)-8b-acetyl-2-(azepan-1-yl)-1,2a-dihydrocyclobuta[a]naphthalene-2-carbonitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12CC(C1C=CC3=CC=CC=C23)(C#N)N4CCCCCC4

Isomeric SMILES

CC(=O)C12C[C@](C1C=CC3=CC=CC=C23)(C#N)N4CCCCCC4

InChI

InChI=1S/C21H24N2O/c1-16(24)21-14-20(15-22,23-12-6-2-3-7-13-23)19(21)11-10-17-8-4-5-9-18(17)21/h4-5,8-11,19H,2-3,6-7,12-14H2,1H3/t19?,20-,21?/m1/s1