4-chloranyl-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)piperidin-1-yl]ethyl]pyrazol-3-one

Systemtic Name: 4-chloranyl-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)piperidin-1-yl]ethyl]pyrazol-3-one Openeye Name: 4-chloro-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)-1-piperidyl]ethyl]pyrazol-3-one CAS Name: 4-chloro-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)-1-piperidinyl]ethyl]-3-pyrazolone IUPAC Name: 4-chloro-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)piperidin-1-yl]ethyl]pyrazol-3-one Traditional Name: 4-chloro-1-methyl-2-phenyl-5-[1-[4-(3-phenylpropyl)piperidino]ethyl]-3-pyrazolin-3-one Formula: C26H32ClN3O MolecularWeight: 438.00478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=O)N(N1C)C2=CC=CC=C2)Cl)N3CCC(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C1=C(C(=O)N(N1C)C2=CC=CC=C2)Cl)N3CCC(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32ClN3O/c1-20(25-24(27)26(31)30(28(25)2)23-14-7-4-8-15-23)29-18-16-22(17-19-29)13-9-12-21-10-5-3-6-11-21/h3-8,10-11,14-15,20,22H,9,12-13,16-19H2,1-2H3