3-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[3-(4-phenylisochroman-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[3-(4-phenylisochroman-4-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C28H31NO MolecularWeight: 397.55184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)CCCC3(COCC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)CCCC3(COCC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H31NO/c1-2-12-26(13-3-1)28(22-30-21-25-11-6-7-14-27(25)28)17-8-18-29-19-15-23-9-4-5-10-24(23)16-20-29/h1-7,9-14H,8,15-22H2