(E)-1-(1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Openeye Name: (E)-1-(1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one CAS Name: (E)-1-(1,4-diazepan-1-yl)-4-[4-(1-imidazolyl)phenyl]-3-buten-1-one IUPAC Name: (E)-1-(1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Traditional Name: (E)-1-(1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CC=CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CNCCN(C1)C(=O)C/C=C/C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C18H22N4O/c23-18(21-12-2-9-19-10-13-21)4-1-3-16-5-7-17(8-6-16)22-14-11-20-15-22/h1,3,5-8,11,14-15,19H,2,4,9-10,12-13H2/b3-1+