N-[(E)-2-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-4-amine hydrate hydrochloride

Systemtic Name: N-[(E)-2-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-4-amine hydrate hydrochloride Openeye Name: N-[(E)-2-(4-benzyloxyphenyl)ethylideneamino]pyridin-4-amine hydrate hydrochloride CAS Name: N-[(E)-2-(4-phenylmethoxyphenyl)ethylideneamino]-4-pyridinamine hydrate hydrochloride IUPAC Name: N-[(E)-2-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-4-amine hydrate hydrochloride Traditional Name: [(E)-2-(4-benzoxyphenyl)ethylideneamino]-(4-pyridyl)amine hydrate hydrochloride Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC=NNC3=CC=NC=C3.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C/C=N/NC3=CC=NC=C3.O.Cl

InChI

InChI=1S/C20H19N3O.ClH.H2O/c1-2-4-18(5-3-1)16-24-20-8-6-17(7-9-20)10-15-22-23-19-11-13-21-14-12-19;;/h1-9,11-15H,10,16H2,(H,21,23);1H;1H2/b22-15+;;