3-[(2-phenyl-1,2,3-triazol-4-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(2-phenyl-1,2,3-triazol-4-yl)methylamino]azepan-2-one Openeye Name: 3-[(2-phenyltriazol-4-yl)methylamino]azepan-2-one CAS Name: 3-[(2-phenyl-4-triazolyl)methylamino]-2-azepanone IUPAC Name: 3-[(2-phenyltriazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[(2-phenyltriazol-4-yl)methylamino]azepan-2-one Formula: C15H19N5O MolecularWeight: 285.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N5O/c21-15-14(8-4-5-9-16-15)17-10-12-11-18-20(19-12)13-6-2-1-3-7-13/h1-3,6-7,11,14,17H,4-5,8-10H2,(H,16,21)