5-(3-methoxyphenyl)-9-pentyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 5-(3-methoxyphenyl)-9-pentyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(3-methoxyphenyl)-9-pentyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-(3-methoxyphenyl)-9-pentyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(3-methoxyphenyl)-9-pentyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 9-amyl-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2CCNCC(C2=CC(=C1O)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCC1=C2CCNCC(C2=CC(=C1O)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29NO3/c1-3-4-5-9-18-17-10-11-23-14-20(19(17)13-21(24)22(18)25)15-7-6-8-16(12-15)26-2/h6-8,12-13,20,23-25H,3-5,9-11,14H2,1-2H3