5-butyl-N-carbamimidoyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrochloride

Systemtic Name: 5-butyl-N-carbamimidoyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrochloride Openeye Name: 5-butyl-N-carbamimidoyl-N-(5-quinolyl)-1H-pyrazole-4-carboxamide dihydrochloride CAS Name: 5-butyl-N-carbamimidoyl-N-(5-quinolinyl)-1H-pyrazole-4-carboxamide dihydrochloride IUPAC Name: 5-butyl-N-carbamimidoyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrochloride Traditional Name: N-amidino-5-butyl-N-(5-quinolyl)-1H-pyrazole-4-carboxamide dihydrochloride Formula: C18H22Cl2N6O MolecularWeight: 409.31288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NN1)C(=O)N(C2=CC=CC3=C2C=CC=N3)C(=N)N.Cl.Cl

Isomeric SMILES

CCCCC1=C(C=NN1)C(=O)N(C2=CC=CC3=C2C=CC=N3)C(=N)N.Cl.Cl

InChI

InChI=1S/C18H20N6O.2ClH/c1-2-3-7-15-13(11-22-23-15)17(25)24(18(19)20)16-9-4-8-14-12(16)6-5-10-21-14;;/h4-6,8-11H,2-3,7H2,1H3,(H3,19,20)(H,22,23);2*1H