2-[bis(phenylmethyl)amino]-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone

Systemtic Name: 2-[bis(phenylmethyl)amino]-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone Openeye Name: 2-(dibenzylamino)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone CAS Name: 2-[bis(phenylmethyl)amino]-1-[1-(3-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone IUPAC Name: 2-(dibenzylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone Traditional Name: 2-(dibenzylamino)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydro-$b-carbolin-2-yl]ethanone Formula: C32H30N4O MolecularWeight: 486.6068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C32H30N4O/c37-30(23-35(21-24-10-3-1-4-11-24)22-25-12-5-2-6-13-25)36-19-17-28-27-15-7-8-16-29(27)34-31(28)32(36)26-14-9-18-33-20-26/h1-16,18,20,32,34H,17,19,21-23H2