5-(azepan-1-ylcarbonyl)-N-methyl-1-(2-methylpropyl)-4-oxidanylidene-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-methyl-1-(2-methylpropyl)-4-oxidanylidene-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-N-methyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-methyl-1-(2-methylpropyl)-4-oxo-N-[[4-(1-pyrazolyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-methyl-1-(2-methylpropyl)-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-methyl-N-(4-pyrazol-1-ylbenzyl)nicotinamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H35N5O3/c1-21(2)17-31-19-24(26(34)25(20-31)28(36)32-14-6-4-5-7-15-32)27(35)30(3)18-22-9-11-23(12-10-22)33-16-8-13-29-33/h8-13,16,19-21H,4-7,14-15,17-18H2,1-3H3