N1-[3-(1-azanylisoquinolin-7-yl)oxypropyl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide

Systemtic Name: N1-[3-(1-azanylisoquinolin-7-yl)oxypropyl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide Openeye Name: N1-[3-[(1-amino-7-isoquinolyl)oxy]propyl]-N4,N4-dimethyl-terephthalamide CAS Name: N1-[3-[(1-amino-7-isoquinolinyl)oxy]propyl]-N4,N4-dimethylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[3-(1-aminoisoquinolin-7-yl)oxypropyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)oxy]propyl]-N',N'-dimethyl-terephthalamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NCCCOC2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NCCCOC2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C22H24N4O3/c1-26(2)22(28)17-6-4-16(5-7-17)21(27)25-11-3-13-29-18-9-8-15-10-12-24-20(23)19(15)14-18/h4-10,12,14H,3,11,13H2,1-2H3,(H2,23,24)(H,25,27)