2-[1-[(2,4-dimethylphenyl)methyl]-2,3-dimethyl-pyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[(2,4-dimethylphenyl)methyl]-2,3-dimethyl-pyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(2,4-dimethylphenyl)methyl]-2,3-dimethyl-pyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(2,4-dimethylphenyl)methyl]-2,3-dimethyl-7-pyrrolo[3,2-b]pyridinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(2,4-dimethylphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(2,4-dimethylbenzyl)-2,3-dimethyl-pyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline Formula: C27H29N3 MolecularWeight: 395.53926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=C(C3=NC=CC(=C32)N4CCC5=CC=CC=C5C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=C(C3=NC=CC(=C32)N4CCC5=CC=CC=C5C4)C)C)C

InChI

InChI=1S/C27H29N3/c1-18-9-10-23(19(2)15-18)17-30-21(4)20(3)26-27(30)25(11-13-28-26)29-14-12-22-7-5-6-8-24(22)16-29/h5-11,13,15H,12,14,16-17H2,1-4H3