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

Systemtic Name: 1-[3-[(4-imidazol-1-ylphenyl)methylamino]propyl]azepan-2-one Openeye Name: 1-[3-[(4-imidazol-1-ylphenyl)methylamino]propyl]azepan-2-one CAS Name: 1-[3-[[4-(1-imidazolyl)phenyl]methylamino]propyl]-2-azepanone IUPAC Name: 1-[3-[(4-imidazol-1-ylphenyl)methylamino]propyl]azepan-2-one Traditional Name: 1-[3-[(4-imidazol-1-ylbenzyl)amino]propyl]azepan-2-one Formula: C19H26N4O MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C19H26N4O/c24-19-5-2-1-3-12-22(19)13-4-10-20-15-17-6-8-18(9-7-17)23-14-11-21-16-23/h6-9,11,14,16,20H,1-5,10,12-13,15H2