N-[(E)-(4-dimethylaminophenyl)methylideneamino]pyridine-4-carboxamide hydrate

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]pyridine-4-carboxamide hydrate Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]pyridine-4-carboxamide hydrate CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-pyridinecarboxamide hydrate IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]pyridine-4-carboxamide hydrate Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]isonicotinamide hydrate Formula: C15H18N4O2 MolecularWeight: 286.32902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=NC=C2.O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2.O

InChI

InChI=1S/C15H16N4O.H2O/c1-19(2)14-5-3-12(4-6-14)11-17-18-15(20)13-7-9-16-10-8-13;/h3-11H,1-2H3,(H,18,20);1H2/b17-11+;