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

Systemtic Name: N3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N5-ethyl-4-oxidanylidene-1-phenethyl-pyridine-3,5-dicarboxamide Openeye Name: N5-ethyl-N3-[[(1S)-isochroman-1-yl]methyl]-4-oxo-1-phenethyl-pyridine-3,5-dicarboxamide CAS Name: N3-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-N5-ethyl-4-oxo-1-phenethylpyridine-3,5-dicarboxamide IUPAC Name: 3-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-N-ethyl-4-oxo-1-phenethylpyridine-3,5-dicarboxamide Traditional Name: N'-ethyl-N-[[(1S)-isochroman-1-yl]methyl]-4-keto-1-phenethyl-dinicotinamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2C3=CC=CC=C3CCO2)CCC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC[C@@H]2C3=CC=CC=C3CCO2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-2-28-26(32)22-17-30(14-12-19-8-4-3-5-9-19)18-23(25(22)31)27(33)29-16-24-21-11-7-6-10-20(21)13-15-34-24/h3-11,17-18,24H,2,12-16H2,1H3,(H,28,32)(H,29,33)/t24-/m1/s1