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

Systemtic Name: N-[4-[[4-[5-(dimethylamino)-2-oxidanyl-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-[5-(dimethylamino)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[[5-(dimethylamino)-2-hydroxyphenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-[5-(dimethylamino)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C28H31N5O4 MolecularWeight: 501.57684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)