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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C27H33N5O3/c1-20(2)17-30-18-23(25(33)24(19-30)27(35)31-12-5-3-4-6-13-31)26(34)28-16-21-9-7-10-22(15-21)32-14-8-11-29-32/h7-11,14-15,18-20H,3-6,12-13,16-17H2,1-2H3,(H,28,34)