1-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]propyl]cinnolin-4-one Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C24H27N3O3/c1-30-19-12-10-18(11-13-19)21-8-3-2-6-15-26(21)24(29)14-16-27-22-9-5-4-7-20(22)23(28)17-25-27/h4-5,7,9-13,17,21H,2-3,6,8,14-16H2,1H3