N-cyclopropyl-4-methyl-3-[1-oxidanylidene-7-[3-(4-propanoylpiperazin-1-yl)propoxy]isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-oxidanylidene-7-[3-(4-propanoylpiperazin-1-yl)propoxy]isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-[3-(4-propanoylpiperazin-1-yl)propoxy]-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-[3-[4-(1-oxopropyl)-1-piperazinyl]propoxy]-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-[3-(4-propanoylpiperazin-1-yl)propoxy]isoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[3-(4-propionylpiperazino)propoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCCOC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCCOC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C30H36N4O4/c1-3-28(35)33-16-14-32(15-17-33)12-4-18-38-25-10-7-22-11-13-34(30(37)26(22)20-25)27-19-23(6-5-21(27)2)29(36)31-24-8-9-24/h5-7,10-11,13,19-20,24H,3-4,8-9,12,14-18H2,1-2H3,(H,31,36)