azepan-1-yl-[1-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]-4-piperidyl]methanone Formula: C24H31ClN4O2 MolecularWeight: 442.98154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C)Cl

InChI

InChI=1S/C24H31ClN4O2/c1-17-22(25)18(2)29(26-17)21-9-7-19(8-10-21)23(30)28-15-11-20(12-16-28)24(31)27-13-5-3-4-6-14-27/h7-10,20H,3-6,11-16H2,1-2H3