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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NCC1CCCC3C4=CC=CC=C4C(CO3)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2NCC1CCCC3C4=CC=CC=C4C(CO3)C5=CC=CC=C5

InChI

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