azepan-1-yl-[1-(3,4-dimethylphenyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3,4-dimethylphenyl)-1,2,3-triazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3,4-dimethylphenyl)triazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(3,4-dimethylphenyl)-4-triazolyl]methanone IUPAC Name: azepan-1-yl-[1-(3,4-dimethylphenyl)triazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3,4-dimethylphenyl)triazol-4-yl]methanone Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H22N4O/c1-13-7-8-15(11-14(13)2)21-12-16(18-19-21)17(22)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3