N5-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-propan-2-yl-pyridine-3,5-dicarboxamide

Systemtic Name: N5-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-propan-2-yl-pyridine-3,5-dicarboxamide Openeye Name: 1-isobutyl-N5-(isochroman-1-ylmethyl)-N3-isopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(2-methylpropyl)-4-oxo-N3-propan-2-ylpyridine-3,5-dicarboxamide IUPAC Name: 5-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide Traditional Name: 1-isobutyl-N'-(isochroman-1-ylmethyl)-N-isopropyl-4-keto-dinicotinamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)NC(C)C)C(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)NC(C)C)C(=O)NCC2C3=CC=CC=C3CCO2

InChI

InChI=1S/C24H31N3O4/c1-15(2)12-27-13-19(22(28)20(14-27)24(30)26-16(3)4)23(29)25-11-21-18-8-6-5-7-17(18)9-10-31-21/h5-8,13-16,21H,9-12H2,1-4H3,(H,25,29)(H,26,30)