N-[(1,5-diphenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine

Systemtic Name: N-[(1,5-diphenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Openeye Name: N-[(1,5-diphenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine CAS Name: N-[(1,5-diphenyl-3-pyrazolyl)methyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]ethanamine IUPAC Name: N-[(1,5-diphenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Traditional Name: (1,5-diphenylpyrazol-3-yl)methyl-[2-[4-(4-nitrophenyl)piperazino]ethyl]amine Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNCC2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCNCC2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O2/c35-34(36)27-13-11-25(12-14-27)32-19-17-31(18-20-32)16-15-29-22-24-21-28(23-7-3-1-4-8-23)33(30-24)26-9-5-2-6-10-26/h1-14,21,29H,15-20,22H2