N3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N5-ethyl-4-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N5-ethyl-4-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide Openeye Name: 1-benzyl-N5-ethyl-N3-[[(1S)-isochroman-1-yl]methyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N3-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-N5-ethyl-4-oxo-1-(phenylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 1-benzyl-3-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-N-ethyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: 1-benzyl-N'-ethyl-N-[[(1S)-isochroman-1-yl]methyl]-4-keto-dinicotinamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2C3=CC=CC=C3CCO2)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC[C@@H]2C3=CC=CC=C3CCO2)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-2-27-25(31)21-16-29(15-18-8-4-3-5-9-18)17-22(24(21)30)26(32)28-14-23-20-11-7-6-10-19(20)12-13-33-23/h3-11,16-17,23H,2,12-15H2,1H3,(H,27,31)(H,28,32)/t23-/m1/s1