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

Systemtic Name: N-[4-[[4-(2-oxidanyl-5-propan-2-yloxy-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-(2-hydroxy-5-isopropoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[(2-hydroxy-5-propan-2-yloxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(2-hydroxy-5-propan-2-yloxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[[4-(2-hydroxy-5-isopropoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C29H33ClN4O5 MolecularWeight: 553.04912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4.Cl

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4.Cl

InChI

InChI=1S/C29H32N4O5.ClH/c1-18(2)38-22-9-10-26(34)23(16-22)27(35)19-5-7-20(8-6-19)28(36)32-24-4-3-13-31-17-25(24)33-29(37)21-11-14-30-15-12-21;/h5-12,14-16,18,24-25,31,34H,3-4,13,17H2,1-2H3,(H,32,36)(H,33,37);1H