N-[4-[[4-(3-methylphenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride

Systemtic Name: N-[4-[[4-(3-methylphenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-(3-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[(3-methylphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(3-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[(4-m-toluoylbenzoyl)amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4.Cl

InChI

InChI=1S/C27H28N4O3.ClH/c1-18-4-2-5-22(16-18)25(32)19-7-9-20(10-8-19)26(33)30-23-6-3-13-29-17-24(23)31-27(34)21-11-14-28-15-12-21;/h2,4-5,7-12,14-16,23-24,29H,3,6,13,17H2,1H3,(H,30,33)(H,31,34);1H