2-[4-[2-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]cyclohexyl]carbonylpiperazin-1-yl]ethanoate

Systemtic Name: 2-[4-[2-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]cyclohexyl]carbonylpiperazin-1-yl]ethanoate Openeye Name: 2-[4-[2-[(1-amino-7-isoquinolyl)methylcarbamoyl]cyclohexanecarbonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[2-[[(1-amino-7-isoquinolinyl)methylamino]-oxomethyl]cyclohexyl]-oxomethyl]-1-piperazinyl]acetate IUPAC Name: 2-[4-[2-[(1-aminoisoquinolin-7-yl)methylcarbamoyl]cyclohexanecarbonyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-[(1-amino-7-isoquinolyl)methylcarbamoyl]cyclohexanecarbonyl]piperazino]acetate Formula: C24H30N5O4- MolecularWeight: 452.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)C=CN=C3N)C(=O)N4CCN(CC4)CC(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)C=CN=C3N)C(=O)N4CCN(CC4)CC(=O)[O-]

InChI

InChI=1S/C24H31N5O4/c25-22-20-13-16(5-6-17(20)7-8-26-22)14-27-23(32)18-3-1-2-4-19(18)24(33)29-11-9-28(10-12-29)15-21(30)31/h5-8,13,18-19H,1-4,9-12,14-15H2,(H2,25,26)(H,27,32)(H,30,31)/p-1