(2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one

Systemtic Name: (2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Openeye Name: (2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one CAS Name: (2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)-1-penta-2,4-dienone IUPAC Name: (2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Traditional Name: (2E,4E)-5-(4-tert-butylphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Formula: C20H28N2O MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC=CC(=O)N2CCCNCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C=C/C(=O)N2CCCNCC2

InChI

InChI=1S/C20H28N2O/c1-20(2,3)18-11-9-17(10-12-18)7-4-5-8-19(23)22-15-6-13-21-14-16-22/h4-5,7-12,21H,6,13-16H2,1-3H3/b7-4+,8-5+