1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]cinnolin-4-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H25N3O3/c1-29-18-12-10-17(11-13-18)20-8-3-2-6-14-25(20)23(28)16-26-21-9-5-4-7-19(21)22(27)15-24-26/h4-5,7,9-13,15,20H,2-3,6,8,14,16H2,1H3/t20-/m1/s1