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

Systemtic Name: N-[4-[[4-(2-oxidanyl-5-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-[2-hydroxy-5-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[[2-hydroxy-5-(1-piperidinyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(2-hydroxy-5-piperidino-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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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

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

InChI

InChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)