2-(4-tert-butylphenyl)-8-(pyridin-4-ylmethylamino)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-8-(pyridin-4-ylmethylamino)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(4-tert-butylphenyl)-8-(4-pyridylmethylamino)-3,4-dihydroisoquinolin-1-one CAS Name: 2-(4-tert-butylphenyl)-8-(pyridin-4-ylmethylamino)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(4-tert-butylphenyl)-8-(pyridin-4-ylmethylamino)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-tert-butylphenyl)-8-(4-pyridylmethylamino)-3,4-dihydroisocarbostyril Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C25H27N3O/c1-25(2,3)20-7-9-21(10-8-20)28-16-13-19-5-4-6-22(23(19)24(28)29)27-17-18-11-14-26-15-12-18/h4-12,14-15,27H,13,16-17H2,1-3H3