7-[4-[4-(3-methylisoquinolin-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one

Systemtic Name: 7-[4-[4-(3-methylisoquinolin-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one Openeye Name: 7-[4-[4-(3-methyl-1-isoquinolyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one CAS Name: 7-[4-[4-(3-methyl-1-isoquinolinyl)-1-piperazinyl]butoxy]-1H-1,8-naphthyridin-2-one IUPAC Name: 7-[4-[4-(3-methylisoquinolin-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one Traditional Name: 7-[4-[4-(3-methyl-1-isoquinolyl)piperazino]butoxy]-1H-1,8-naphthyridin-2-one Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=N1)N3CCN(CC3)CCCCOC4=NC5=C(C=CC(=O)N5)C=C4

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=N1)N3CCN(CC3)CCCCOC4=NC5=C(C=CC(=O)N5)C=C4

InChI

InChI=1S/C26H29N5O2/c1-19-18-21-6-2-3-7-22(21)26(27-19)31-15-13-30(14-16-31)12-4-5-17-33-24-11-9-20-8-10-23(32)28-25(20)29-24/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,28,29,32)