N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C18H23N5 MolecularWeight: 309.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=NCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC3=NCCCCC3

InChI

InChI=1S/C18H23N5/c1-14-17(13-20-21-18-11-7-4-8-12-19-18)15(2)23(22-14)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,21)/b20-13+