2-azanyl-N-[4-[[4-(5-methyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(5-methyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(2-hydroxy-5-methyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-hydroxy-5-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(2-hydroxy-5-methyl-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N

InChI

InChI=1S/C27H29N5O4/c1-16-4-9-23(33)20(13-16)25(34)17-5-7-18(8-6-17)26(35)31-21-3-2-11-29-15-22(21)32-27(36)19-10-12-30-24(28)14-19/h4-10,12-14,21-22,29,33H,2-3,11,15H2,1H3,(H2,28,30)(H,31,35)(H,32,36)