N3-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-oxidanylidene-1-(phenylmethyl)-N5-prop-2-enyl-pyridine-3,5-dicarboxamide

Systemtic Name: N3-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-oxidanylidene-1-(phenylmethyl)-N5-prop-2-enyl-pyridine-3,5-dicarboxamide Openeye Name: N5-allyl-1-benzyl-N3-[[(2R)-chroman-2-yl]methyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N3-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-4-oxo-1-(phenylmethyl)-N5-prop-2-enylpyridine-3,5-dicarboxamide IUPAC Name: 1-benzyl-3-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide Traditional Name: N'-allyl-1-benzyl-N-[[(2R)-chroman-2-yl]methyl]-4-keto-dinicotinamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2CCC3=CC=CC=C3O2)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC[C@H]2CCC3=CC=CC=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-2-14-28-26(32)22-17-30(16-19-8-4-3-5-9-19)18-23(25(22)31)27(33)29-15-21-13-12-20-10-6-7-11-24(20)34-21/h2-11,17-18,21H,1,12-16H2,(H,28,32)(H,29,33)/t21-/m1/s1