5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-[(E)-azepan-1-ylmethyleneamino]-1-(p-tolyl)pyrazole-4-carbonitrile CAS Name: 5-[(E)-1-azepanylmethylideneamino]-1-(4-methylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-[(E)-azepan-1-ylmethyleneamino]-1-(p-tolyl)pyrazole-4-carbonitrile Formula: C18H21N5 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)/N=C/N3CCCCCC3

InChI

InChI=1S/C18H21N5/c1-15-6-8-17(9-7-15)23-18(16(12-19)13-21-23)20-14-22-10-4-2-3-5-11-22/h6-9,13-14H,2-5,10-11H2,1H3/b20-14+