6-chloranyl-1-(4-pentoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 6-chloranyl-1-(4-pentoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 6-chloro-1-(4-pentoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 6-chloro-1-(4-pentoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 6-chloro-1-(4-pentoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 1-(4-amoxyphenyl)-6-chloro-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C22H25ClN2O MolecularWeight: 368.8997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H25ClN2O/c1-2-3-4-13-26-17-8-5-15(6-9-17)21-22-18(11-12-24-21)19-14-16(23)7-10-20(19)25-22/h5-10,14,21,24-25H,2-4,11-13H2,1H3