4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide CAS Name: 2-(N-[(1-amino-7-isoquinolinyl)-oxomethyl]anilino)acetic acid; 4-(1-carbamoyl-4-piperidinyl)-1-piperidinecarboxamide IUPAC Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; 4-(1-carbamoylpiperidin-4-yl)piperidine-1-carboxamide Traditional Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide Formula: C30H37N7O5 MolecularWeight: 575.65868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)N)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)N)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.C12H22N4O2/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;13-11(17)15-5-1-9(2-6-15)10-3-7-16(8-4-10)12(14)18/h1-10H,11H2,(H2,19,20)(H,22,23);9-10H,1-8H2,(H2,13,17)(H2,14,18)