1-[5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

Systemtic Name: 1-[5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone Openeye Name: 1-[5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indol-3-yl]ethanone CAS Name: 1-[5-[3-(1-azepanyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolyl]ethanone IUPAC Name: 1-[5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone Traditional Name: 1-[5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indol-3-yl]ethanone Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OCC(CN4CCCCCC4)O)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OCC(CN4CCCCCC4)O)C(=O)C)C

InChI

InChI=1S/C27H34N2O3/c1-19-8-10-22(11-9-19)29-20(2)27(21(3)30)25-16-24(12-13-26(25)29)32-18-23(31)17-28-14-6-4-5-7-15-28/h8-13,16,23,31H,4-7,14-15,17-18H2,1-3H3