tert-butyl 1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[amidino(chloro)amino]isoquinoline-7-carbonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

InChI

InChI=1S/C20H24ClN5O3/c1-20(2,3)29-18(28)15-5-4-8-25(15)17(27)12-6-7-14-13(9-12)10-24-11-16(14)26(21)19(22)23/h6-7,9-11,15H,4-5,8H2,1-3H3,(H3,22,23)