(E)-1-[3-(4-azanylbutyl)-1,3-diazinan-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(4-azanylbutyl)-1,3-diazinan-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[3-(4-aminobutyl)hexahydropyrimidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[3-(4-aminobutyl)-1,3-diazinan-1-yl]-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(4-aminobutyl)-1,3-diazinan-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[3-(4-aminobutyl)hexahydropyrimidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCCN(C2)CCCCN

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCCN(C2)CCCCN

InChI

InChI=1S/C18H27N3O2/c1-23-17-8-5-16(6-9-17)7-10-18(22)21-14-4-13-20(15-21)12-3-2-11-19/h5-10H,2-4,11-15,19H2,1H3/b10-7+