3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one CAS Name: 3-[[4-(1-imidazolyl)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-imidazol-1-ylbenzyl)amino]azepan-2-one Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H20N4O/c21-16-15(3-1-2-8-18-16)19-11-13-4-6-14(7-5-13)20-10-9-17-12-20/h4-7,9-10,12,15,19H,1-3,8,11H2,(H,18,21)