2-azanyl-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyethenyl)-6-propyl-4H-pyran-3-carbonitrile hydrate

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyethenyl)-6-propyl-4H-pyran-3-carbonitrile hydrate Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyvinyl)-6-propyl-4H-pyran-3-carbonitrile hydrate CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyethenyl)-6-propyl-4H-pyran-3-carbonitrile hydrate IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyethenyl)-6-propyl-4H-pyran-3-carbonitrile hydrate Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-(1-ethoxyvinyl)-6-propyl-4H-pyran-3-carbonitrile hydrate Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=C)OCC.O

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=C)OCC.O

InChI

InChI=1S/C21H26N2O4.H2O/c1-6-8-17-19(13(3)26-7-2)20(15(12-22)21(23)27-17)14-9-10-16(24-4)18(11-14)25-5;/h9-11,20H,3,6-8,23H2,1-2,4-5H3;1H2