5-cyclopropyl-N-[(E)-1-(4-ethoxyphenyl)propylideneamino]-1H-pyrazole-3-carboxamide hydrate

Systemtic Name: 5-cyclopropyl-N-[(E)-1-(4-ethoxyphenyl)propylideneamino]-1H-pyrazole-3-carboxamide hydrate Openeye Name: 5-cyclopropyl-N-[(E)-1-(4-ethoxyphenyl)propylideneamino]-1H-pyrazole-3-carboxamide hydrate CAS Name: 5-cyclopropyl-N-[(E)-1-(4-ethoxyphenyl)propylideneamino]-1H-pyrazole-3-carboxamide hydrate IUPAC Name: 5-cyclopropyl-N-[(E)-1-(4-ethoxyphenyl)propylideneamino]-1H-pyrazole-3-carboxamide hydrate Traditional Name: 5-cyclopropyl-N-[(E)-1-p-phenetylpropylideneamino]-1H-pyrazole-3-carboxamide hydrate Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NNC(=C1)C2CC2)C3=CC=C(C=C3)OCC.O

Isomeric SMILES

CC/C(=N\NC(=O)C1=NNC(=C1)C2CC2)/C3=CC=C(C=C3)OCC.O

InChI

InChI=1S/C18H22N4O2.H2O/c1-3-15(12-7-9-14(10-8-12)24-4-2)19-22-18(23)17-11-16(20-21-17)13-5-6-13;/h7-11,13H,3-6H2,1-2H3,(H,20,21)(H,22,23);1H2/b19-15+;