(2E,4E)-5-(4-tert-butyl-2-methoxy-phenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one

Systemtic Name: (2E,4E)-5-(4-tert-butyl-2-methoxy-phenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Openeye Name: (2E,4E)-5-(4-tert-butyl-2-methoxy-phenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one CAS Name: (2E,4E)-5-(4-tert-butyl-2-methoxyphenyl)-1-(1,4-diazepan-1-yl)-1-penta-2,4-dienone IUPAC Name: (2E,4E)-5-(4-tert-butyl-2-methoxyphenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Traditional Name: (2E,4E)-5-(4-tert-butyl-2-methoxy-phenyl)-1-(1,4-diazepan-1-yl)penta-2,4-dien-1-one Formula: C21H30N2O2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-21(2,3)18-11-10-17(19(16-18)25-4)8-5-6-9-20(24)23-14-7-12-22-13-15-23/h5-6,8-11,16,22H,7,12-15H2,1-4H3/b8-5+,9-6+