[1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [1-(3-chloro-2-methylphenyl)-5-(4-piperidinyl)-4-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(3-chloro-2-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5CCNCC5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5CCNCC5

InChI

InChI=1S/C26H29ClN6O3/c1-18-23(27)3-2-4-24(18)32-25(19-9-11-28-12-10-19)22(17-29-32)26(34)31-15-13-30(14-16-31)20-5-7-21(8-6-20)33(35)36/h2-8,17,19,28H,9-16H2,1H3