N-[bis(azanyl)methylidene]-5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxamide; ethanol

Systemtic Name: N-[bis(azanyl)methylidene]-5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxamide; ethanol Openeye Name: 5-cyclopropyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide; ethanol CAS Name: 5-cyclopropyl-N-(diaminomethylidene)-1-(5-quinolinyl)-4-pyrazolecarboxamide; ethanol IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide; ethanol Traditional Name: 5-cyclopropyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide; ethanol Formula: C36H38N12O3 MolecularWeight: 686.76552

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N

Isomeric SMILES

CCO.C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N

InChI

InChI=1S/2C17H16N6O.C2H6O/c2*18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;1-2-3/h2*1-5,8-10H,6-7H2,(H4,18,19,22,24);3H,2H2,1H3