N-carbamimidoyl-5-cyclopropyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrate

Systemtic Name: N-carbamimidoyl-5-cyclopropyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrate Openeye Name: N-carbamimidoyl-5-cyclopropyl-N-(5-quinolyl)-1H-pyrazole-4-carboxamide dihydrate CAS Name: N-carbamimidoyl-5-cyclopropyl-N-(5-quinolinyl)-1H-pyrazole-4-carboxamide dihydrate IUPAC Name: N-carbamimidoyl-5-cyclopropyl-N-quinolin-5-yl-1H-pyrazole-4-carboxamide dihydrate Traditional Name: N-amidino-5-cyclopropyl-N-(5-quinolyl)-1H-pyrazole-4-carboxamide dihydrate Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2)C(=O)N(C3=CC=CC4=C3C=CC=N4)C(=N)N.O.O

Isomeric SMILES

C1CC1C2=C(C=NN2)C(=O)N(C3=CC=CC4=C3C=CC=N4)C(=N)N.O.O

InChI

InChI=1S/C17H16N6O.2H2O/c18-17(19)23(14-5-1-4-13-11(14)3-2-8-20-13)16(24)12-9-21-22-15(12)10-6-7-10;;/h1-5,8-10H,6-7H2,(H3,18,19)(H,21,22);2*1H2