(5E,7E)-1-azanyl-3-piperazin-1-yl-8-(3,4,5-trimethoxyphenyl)octa-5,7-dien-4-one

Systemtic Name: (5E,7E)-1-azanyl-3-piperazin-1-yl-8-(3,4,5-trimethoxyphenyl)octa-5,7-dien-4-one Openeye Name: (5E,7E)-1-amino-3-piperazin-1-yl-8-(3,4,5-trimethoxyphenyl)octa-5,7-dien-4-one CAS Name: (5E,7E)-1-amino-3-(1-piperazinyl)-8-(3,4,5-trimethoxyphenyl)-4-octa-5,7-dienone IUPAC Name: (5E,7E)-1-amino-3-piperazin-1-yl-8-(3,4,5-trimethoxyphenyl)octa-5,7-dien-4-one Traditional Name: (5E,7E)-1-amino-3-piperazino-8-(3,4,5-trimethoxyphenyl)octa-5,7-dien-4-one Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC=CC(=O)C(CCN)N2CCNCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C=C/C(=O)C(CCN)N2CCNCC2

InChI

InChI=1S/C21H31N3O4/c1-26-19-14-16(15-20(27-2)21(19)28-3)6-4-5-7-18(25)17(8-9-22)24-12-10-23-11-13-24/h4-7,14-15,17,23H,8-13,22H2,1-3H3/b6-4+,7-5+