[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-yl-pyrazol-4-yl)methanone Openeye Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-phenyl-5-(4-piperidyl)pyrazol-4-yl]methanone CAS Name: [4-(2,4-dimethylphenyl)-1-piperazinyl]-[1-phenyl-5-(4-piperidinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-ylpyrazol-4-yl)methanone Traditional Name: [4-(2,4-dimethylphenyl)piperazino]-[1-phenyl-5-(4-piperidyl)pyrazol-4-yl]methanone Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CCNCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CCNCC5)C

InChI

InChI=1S/C27H33N5O/c1-20-8-9-25(21(2)18-20)30-14-16-31(17-15-30)27(33)24-19-29-32(23-6-4-3-5-7-23)26(24)22-10-12-28-13-11-22/h3-9,18-19,22,28H,10-17H2,1-2H3