1-[1,8-bis(azanyl)-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,8-bis(azanyl)-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl]piperidine-3-carboxylic acid Openeye Name: 1-(1,8-diamino-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl)piperidine-3-carboxylic acid CAS Name: 1-(1,8-diamino-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(1,8-diamino-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl)piperidine-3-carboxylic acid Traditional Name: 1-(1,8-diamino-4-cyano-6-ethoxy-2,7-naphthyridin-3-yl)nipecotic acid Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCC(C3)C(=O)O)C#N)N

Isomeric SMILES

CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCC(C3)C(=O)O)C#N)N

InChI

InChI=1S/C17H20N6O3/c1-2-26-12-6-10-11(7-18)16(22-15(20)13(10)14(19)21-12)23-5-3-4-9(8-23)17(24)25/h6,9H,2-5,8H2,1H3,(H2,19,21)(H2,20,22)(H,24,25)