ethyl 1-carbamimidoyl-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-carbamimidoyl-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-carbamimidoyl-1H-isoquinoline-2-carboxylate CAS Name: 1-carbamimidoyl-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-carbamimidoyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-amidino-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC=CC=C2C1C(=N)N

Isomeric SMILES

CCOC(=O)N1C=CC2=CC=CC=C2C1C(=N)N

InChI

InChI=1S/C13H15N3O2/c1-2-18-13(17)16-8-7-9-5-3-4-6-10(9)11(16)12(14)15/h3-8,11H,2H2,1H3,(H3,14,15)