[4-(diphenylmethyl)piperazin-1-yl]-[2-methyl-5-(4-nitropyrazol-1-yl)pyridin-3-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[2-methyl-5-(4-nitropyrazol-1-yl)pyridin-3-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[2-methyl-5-(4-nitropyrazol-1-yl)-3-pyridyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[2-methyl-5-(4-nitro-1-pyrazolyl)-3-pyridinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[2-methyl-5-(4-nitropyrazol-1-yl)pyridin-3-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[2-methyl-5-(4-nitropyrazol-1-yl)-3-pyridyl]methanone Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N5C=C(C=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N5C=C(C=N5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O3/c1-20-25(16-23(17-28-20)32-19-24(18-29-32)33(35)36)27(34)31-14-12-30(13-15-31)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-19,26H,12-15H2,1H3