2-[[1-[2-(6-methoxynaphthalen-2-yl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[1-[2-(6-methoxynaphthalen-2-yl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[1-[2-(6-methoxy-2-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[1-[2-(6-methoxy-2-naphthalenyl)ethyl]-3-azepanyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[1-[2-(6-methoxynaphthalen-2-yl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[1-[2-(6-methoxy-2-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)CCN3CCCCC(C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CCN3CCCCC(C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H36N2O/c1-32-29-12-11-26-18-23(9-10-27(26)19-29)13-16-30-15-5-4-6-24(20-30)21-31-17-14-25-7-2-3-8-28(25)22-31/h2-3,7-12,18-19,24H,4-6,13-17,20-22H2,1H3