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

Systemtic Name: [5-azanyl-1-(4-chlorophenyl)-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone Openeye Name: [5-amino-1-(4-chlorophenyl)triazol-4-yl]-(azepan-1-yl)methanone CAS Name: [5-amino-1-(4-chlorophenyl)-4-triazolyl]-(1-azepanyl)methanone IUPAC Name: [5-amino-1-(4-chlorophenyl)triazol-4-yl]-(azepan-1-yl)methanone Traditional Name: [5-amino-1-(4-chlorophenyl)triazol-4-yl]-(azepan-1-yl)methanone Formula: C15H18ClN5O MolecularWeight: 319.78932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H18ClN5O/c16-11-5-7-12(8-6-11)21-14(17)13(18-19-21)15(22)20-9-3-1-2-4-10-20/h5-8H,1-4,9-10,17H2