2-azanyl-N-[4-[[4-(2-oxidanyl-5-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(2-oxidanyl-5-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-[2-hydroxy-5-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[[2-hydroxy-5-(1-piperidinyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(2-hydroxy-5-piperidino-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC(=NC=C5)N

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC(=NC=C5)N

InChI

InChI=1S/C31H36N6O4/c32-28-17-22(12-14-34-28)31(41)36-26-19-33-13-4-5-25(26)35-30(40)21-8-6-20(7-9-21)29(39)24-18-23(10-11-27(24)38)37-15-2-1-3-16-37/h6-12,14,17-18,25-26,33,38H,1-5,13,15-16,19H2,(H2,32,34)(H,35,40)(H,36,41)