2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydrobenzofuran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydrobenzofuran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyridine-3-carboxamide Traditional Name: 2-(coumaran-5-ylmethylamino)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)nicotinamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCC5)C)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCC5)C)C

InChI

InChI=1S/C27H30N4O2/c1-27(2)17-31(3)16-20-14-21(7-8-23(20)27)30-26(32)22-5-4-11-28-25(22)29-15-18-6-9-24-19(13-18)10-12-33-24/h4-9,11,13-14H,10,12,15-17H2,1-3H3,(H,28,29)(H,30,32)