N-[(Z)-[5-(azepan-1-yl)-4-nitro-1-phenyl-pyrazol-3-yl]methylideneamino]aniline

Systemtic Name: N-[(Z)-[5-(azepan-1-yl)-4-nitro-1-phenyl-pyrazol-3-yl]methylideneamino]aniline Openeye Name: N-[(Z)-[5-(azepan-1-yl)-4-nitro-1-phenyl-pyrazol-3-yl]methyleneamino]aniline CAS Name: N-[(Z)-[5-(1-azepanyl)-4-nitro-1-phenyl-3-pyrazolyl]methylideneamino]aniline IUPAC Name: N-[(Z)-[5-(azepan-1-yl)-4-nitro-1-phenylpyrazol-3-yl]methylideneamino]aniline Traditional Name: [(Z)-[5-(azepan-1-yl)-4-nitro-1-phenyl-pyrazol-3-yl]methyleneamino]-phenyl-amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C=NNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)/C=N\NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)21-20(17-23-24-18-11-5-3-6-12-18)25-27(19-13-7-4-8-14-19)22(21)26-15-9-1-2-10-16-26/h3-8,11-14,17,24H,1-2,9-10,15-16H2/b23-17-