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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H35N5O3/c1-4-21(2)32-19-24(26(34)25(20-32)28(36)31-15-7-5-6-8-16-31)27(35)30(3)18-22-10-12-23(13-11-22)33-17-9-14-29-33/h9-14,17,19-21H,4-8,15-16,18H2,1-3H3