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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-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-4-oxo-N-[[4-(1-pyrazolyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-N-(4-pyrazol-1-ylbenzyl)-1-sec-butyl-nicotinamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C27H33N5O3/c1-3-20(2)31-18-23(25(33)24(19-31)27(35)30-14-6-4-5-7-15-30)26(34)28-17-21-9-11-22(12-10-21)32-16-8-13-29-32/h8-13,16,18-20H,3-7,14-15,17H2,1-2H3,(H,28,34)