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

Systemtic Name: azepan-1-yl-[1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]methanone Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H29ClN4O2/c1-17-20(21(24)28(25-17)19-9-5-4-6-10-19)23(30)27-15-11-18(12-16-27)22(29)26-13-7-2-3-8-14-26/h4-6,9-10,18H,2-3,7-8,11-16H2,1H3