[5-azanyl-1-(2,6-dimethylphenyl)-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone

Systemtic Name: [5-azanyl-1-(2,6-dimethylphenyl)-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone Openeye Name: [5-amino-1-(2,6-dimethylphenyl)triazol-4-yl]-(azepan-1-yl)methanone CAS Name: [5-amino-1-(2,6-dimethylphenyl)-4-triazolyl]-(1-azepanyl)methanone IUPAC Name: [5-amino-1-(2,6-dimethylphenyl)triazol-4-yl]-(azepan-1-yl)methanone Traditional Name: [5-amino-1-(2,6-dimethylphenyl)triazol-4-yl]-(azepan-1-yl)methanone Formula: C17H23N5O MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-12-8-7-9-13(2)15(12)22-16(18)14(19-20-22)17(23)21-10-5-3-4-6-11-21/h7-9H,3-6,10-11,18H2,1-2H3