azepan-1-yl-[1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H31ClN4O2/c29-23-12-10-21(11-13-23)26-25(20-33(30-26)24-8-4-3-5-9-24)28(35)32-18-14-22(15-19-32)27(34)31-16-6-1-2-7-17-31/h3-5,8-13,20,22H,1-2,6-7,14-19H2