N5-(cyclohexylmethyl)-1-cyclopropyl-N3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide

Systemtic Name: N5-(cyclohexylmethyl)-1-cyclopropyl-N3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide Openeye Name: N5-(cyclohexylmethyl)-1-cyclopropyl-N3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(cyclohexylmethyl)-1-cyclopropyl-N3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide IUPAC Name: 5-N-(cyclohexylmethyl)-1-cyclopropyl-3-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide Traditional Name: N'-(cyclohexylmethyl)-1-cyclopropyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-keto-dinicotinamide Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NCC3COC4=CC=CC=C4O3)C5CC5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC[C@H]3COC4=CC=CC=C4O3)C5CC5

InChI

InChI=1S/C26H31N3O5/c30-24-20(25(31)27-12-17-6-2-1-3-7-17)14-29(18-10-11-18)15-21(24)26(32)28-13-19-16-33-22-8-4-5-9-23(22)34-19/h4-5,8-9,14-15,17-19H,1-3,6-7,10-13,16H2,(H,27,31)(H,28,32)/t19-/m0/s1