N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-7-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-7-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-(1-keto-4,4-dimethyl-2-p-anisyl-3H-isoquinolin-7-yl)-2-(4-pyridylmethylamino)nicotinamide Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)CC5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)CC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C31H31N5O3/c1-31(2)20-36(19-22-6-9-24(39-3)10-7-22)30(38)26-17-23(8-11-27(26)31)35-29(37)25-5-4-14-33-28(25)34-18-21-12-15-32-16-13-21/h4-17H,18-20H2,1-3H3,(H,33,34)(H,35,37)