5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-4-oxo-N-[(5-phenylisoxazol-3-yl)methyl]-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-N-[(5-phenyl-3-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-N-[(5-phenylisoxazol-3-yl)methyl]-1-sec-butyl-nicotinamide Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-3-19(2)31-17-22(25(32)23(18-31)27(34)30-13-9-4-5-10-14-30)26(33)28-16-21-15-24(35-29-21)20-11-7-6-8-12-20/h6-8,11-12,15,17-19H,3-5,9-10,13-14,16H2,1-2H3,(H,28,33)