6-methyl-2-[(2-methylphenyl)methyl]-4-oxidanylidene-N-[(3S)-2-oxidanylideneazepan-3-yl]-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-methyl-2-[(2-methylphenyl)methyl]-4-oxidanylidene-N-[(3S)-2-oxidanylideneazepan-3-yl]-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 6-methyl-2-(o-tolylmethyl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]-1-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-N-[(3S)-2-oxo-3-azepanyl]-1-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-N-[(3S)-2-oxoazepan-3-yl]-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 4-keto-N-[(3S)-2-ketoazepan-3-yl]-6-methyl-2-(2-methylbenzyl)-1-(2-pyridylmethyl)nicotinamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(C(=O)C=C(N2CC3=CC=CC=N3)C)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=CC=CC=C1CC2=C(C(=O)C=C(N2CC3=CC=CC=N3)C)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C27H30N4O3/c1-18-9-3-4-10-20(18)16-23-25(27(34)30-22-12-6-8-14-29-26(22)33)24(32)15-19(2)31(23)17-21-11-5-7-13-28-21/h3-5,7,9-11,13,15,22H,6,8,12,14,16-17H2,1-2H3,(H,29,33)(H,30,34)/t22-/m0/s1