2-[4-[3-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]phenyl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-[(1-azanylisoquinolin-7-yl)methylcarbamoyl]phenyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-[(1-amino-7-isoquinolyl)methylcarbamoyl]benzoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[3-[[(1-amino-7-isoquinolinyl)methylamino]-oxomethyl]phenyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-[(1-aminoisoquinolin-7-yl)methylcarbamoyl]benzoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-[(1-amino-7-isoquinolyl)methylcarbamoyl]benzoyl]piperazino]acetic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)C(=O)NCC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)C(=O)NCC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C24H25N5O4/c25-22-20-12-16(4-5-17(20)6-7-26-22)14-27-23(32)18-2-1-3-19(13-18)24(33)29-10-8-28(9-11-29)15-21(30)31/h1-7,12-13H,8-11,14-15H2,(H2,25,26)(H,27,32)(H,30,31)