1-[(2-methoxyphenyl)methyl]-N5-(3-methylbutyl)-4-oxidanylidene-N3-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-3,5-dicarboxamide

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-N5-(3-methylbutyl)-4-oxidanylidene-N3-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-3,5-dicarboxamide Openeye Name: N5-isopentyl-1-[(2-methoxyphenyl)methyl]-4-oxo-N3-[(3S)-2-oxoazepan-3-yl]pyridine-3,5-dicarboxamide CAS Name: 1-[(2-methoxyphenyl)methyl]-N5-(3-methylbutyl)-4-oxo-N3-[(3S)-2-oxo-3-azepanyl]pyridine-3,5-dicarboxamide IUPAC Name: 1-[(2-methoxyphenyl)methyl]-5-N-(3-methylbutyl)-4-oxo-3-N-[(3S)-2-oxoazepan-3-yl]pyridine-3,5-dicarboxamide Traditional Name: N'-isoamyl-4-keto-N-[(3S)-2-ketoazepan-3-yl]-1-o-anisyl-dinicotinamide Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCNC2=O)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CCCCNC2=O)CC3=CC=CC=C3OC

InChI

InChI=1S/C26H34N4O5/c1-17(2)11-13-28-24(32)19-15-30(14-18-8-4-5-10-22(18)35-3)16-20(23(19)31)25(33)29-21-9-6-7-12-27-26(21)34/h4-5,8,10,15-17,21H,6-7,9,11-14H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)/t21-/m0/s1