N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(quinolin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(quinolin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(4-quinolylmethylamino)pyridine-3-carboxamide CAS Name: N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(4-quinolinylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(quinolin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-(4-quinolylmethylamino)nicotinamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

Isomeric SMILES

CC1(CNCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

InChI

InChI=1S/C27H27N5O/c1-27(2)17-28-15-19-14-20(9-10-23(19)27)32-26(33)22-7-5-12-30-25(22)31-16-18-11-13-29-24-8-4-3-6-21(18)24/h3-14,28H,15-17H2,1-2H3,(H,30,31)(H,32,33)