[5-azanyl-1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone

Systemtic Name: [5-azanyl-1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone Openeye Name: [5-amino-1-(3-chloro-4-methyl-phenyl)triazol-4-yl]-(azepan-1-yl)methanone CAS Name: [5-amino-1-(3-chloro-4-methylphenyl)-4-triazolyl]-(1-azepanyl)methanone IUPAC Name: [5-amino-1-(3-chloro-4-methylphenyl)triazol-4-yl]-(azepan-1-yl)methanone Traditional Name: [5-amino-1-(3-chloro-4-methyl-phenyl)triazol-4-yl]-(azepan-1-yl)methanone Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O/c1-11-6-7-12(10-13(11)17)22-15(18)14(19-20-22)16(23)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,18H2,1H3