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

Systemtic Name: N-[4-[[4-(2-oxidanyl-5-piperidin-2-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-[2-hydroxy-5-(2-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[[2-hydroxy-5-(2-piperidinyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(2-hydroxy-5-piperidin-2-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[[4-[2-hydroxy-5-(2-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C31H36ClN5O4 MolecularWeight: 578.10164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5.Cl

Isomeric SMILES

C1CCNC(C1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5.Cl

InChI

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