2-[(1-azanylisoquinolin-7-yl)carbonyl-phenyl-amino]ethanoic acid; piperidine-1-carboxamide

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonyl-phenyl-amino]ethanoic acid; piperidine-1-carboxamide Openeye Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; piperidine-1-carboxamide CAS Name: 2-(N-[(1-amino-7-isoquinolinyl)-oxomethyl]anilino)acetic acid; 1-piperidinecarboxamide IUPAC Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; piperidine-1-carboxamide Traditional Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; piperidine-1-carboxamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

C1CCN(CC1)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C18H15N3O3.C6H12N2O/c19-17-15-10-13(7-6-12(15)8-9-20-17)18(24)21(11-16(22)23)14-4-2-1-3-5-14;7-6(9)8-4-2-1-3-5-8/h1-10H,11H2,(H2,19,20)(H,22,23);1-5H2,(H2,7,9)