2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[3-(4-methoxyphenoxy)propyl]-3-azepanyl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisocarbostyril Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CCCOC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CCCOC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H38N2O3/c1-21-17-24-12-15-30(28(31)27(24)18-22(21)2)20-23-7-4-5-13-29(19-23)14-6-16-33-26-10-8-25(32-3)9-11-26/h8-11,17-18,23H,4-7,12-16,19-20H2,1-3H3