(E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxynaphthalen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxynaphthalen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxy-2-naphthyl)prop-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxy-2-naphthalenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxynaphthalen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-1-yl)-3-(5,6,7-trimethoxy-2-naphthyl)prop-2-en-1-one Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CC(=CC2=C1)C=CC(=O)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CC(=CC2=C1)/C=C/C(=O)N3CCCNCC3)OC)OC

InChI

InChI=1S/C21H26N2O4/c1-25-18-14-16-13-15(5-7-17(16)20(26-2)21(18)27-3)6-8-19(24)23-11-4-9-22-10-12-23/h5-8,13-14,22H,4,9-12H2,1-3H3/b8-6+