1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-phenylmethoxyphenyl)piperazine

Systemtic Name: 1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-phenylmethoxyphenyl)piperazine Openeye Name: 1-(4-benzyloxyphenyl)-4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]piperazine CAS Name: 1-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-4-(4-phenylmethoxyphenyl)piperazine IUPAC Name: 1-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-(4-phenylmethoxyphenyl)piperazine Traditional Name: 1-(4-benzoxyphenyl)-4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]piperazine Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=C(C(=N2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C=C(C(=N2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O3/c22-20-14-26(23-21(20)27(28)29)16-24-10-12-25(13-11-24)18-6-8-19(9-7-18)30-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2