1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrazole-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN(N=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN(N=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O3/c34-27(22-18-28-32(20-22)25-10-12-26(13-11-25)33(35)36)29-23-6-8-24(9-7-23)31-16-14-30(15-17-31)19-21-4-2-1-3-5-21/h1-13,18,20H,14-17,19H2,(H,29,34)