2-[4-[2-[(1-azanylisoquinolin-7-yl)-methyl-carbamoyl]cyclohexyl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(1-azanylisoquinolin-7-yl)-methyl-carbamoyl]cyclohexyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(1-amino-7-isoquinolyl)-methyl-carbamoyl]cyclohexanecarbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-[[(1-amino-7-isoquinolinyl)-methylamino]-oxomethyl]cyclohexyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(1-aminoisoquinolin-7-yl)-methylcarbamoyl]cyclohexanecarbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(1-amino-7-isoquinolyl)-methyl-carbamoyl]cyclohexanecarbonyl]piperazino]acetic acid Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)C=CN=C2N)C(=O)C3CCCCC3C(=O)N4CCN(CC4)CC(=O)O

Isomeric SMILES

CN(C1=CC2=C(C=C1)C=CN=C2N)C(=O)C3CCCCC3C(=O)N4CCN(CC4)CC(=O)O

InChI

InChI=1S/C24H31N5O4/c1-27(17-7-6-16-8-9-26-22(25)20(16)14-17)23(32)18-4-2-3-5-19(18)24(33)29-12-10-28(11-13-29)15-21(30)31/h6-9,14,18-19H,2-5,10-13,15H2,1H3,(H2,25,26)(H,30,31)