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

Systemtic Name: 2-azanyl-N-[4-[[4-[5-(3,3-dimethylpiperidin-2-yl)-2-oxidanyl-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: 2-amino-N-[4-[[4-[5-(3,3-dimethyl-2-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: 2-amino-N-[4-[[[4-[[5-(3,3-dimethyl-2-piperidinyl)-2-hydroxyphenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: 2-amino-N-[4-[[4-[5-(3,3-dimethylpiperidin-2-yl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: 2-amino-N-[4-[[4-[5-(3,3-dimethyl-2-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C33H41ClN6O4 MolecularWeight: 621.16944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCNC1C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC(=NC=C5)N)C.Cl

Isomeric SMILES

CC1(CCCNC1C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC(=NC=C5)N)C.Cl

InChI

InChI=1S/C33H40N6O4.ClH/c1-33(2)13-4-15-37-30(33)22-10-11-27(40)24(17-22)29(41)20-6-8-21(9-7-20)31(42)38-25-5-3-14-35-19-26(25)39-32(43)23-12-16-36-28(34)18-23;/h6-12,16-18,25-26,30,35,37,40H,3-5,13-15,19H2,1-2H3,(H2,34,36)(H,38,42)(H,39,43);1H