3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(C3=C(C2=O)CCCC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(C3=C(C2=O)CCCC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N2O3/c1-28-21-13-7-6-12-19(21)25-20(17-10-4-5-11-18(17)23(25)27)16-22(26)24-14-8-2-3-9-15-24/h6-7,12-13,20H,2-5,8-11,14-16H2,1H3