2-azanyl-4-(3,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Openeye Name: 2-amino-4-(3,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile CAS Name: 2-amino-4-(3,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile IUPAC Name: 2-amino-4-(3,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Traditional Name: 2-amino-4-(3,5-dimethoxyphenyl)-7-methylol-4H-pyran[2,3-e]indole-3-carbonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)CO)OC(=C2C#N)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)CO)OC(=C2C#N)N)OC

InChI

InChI=1S/C21H19N3O4/c1-26-13-7-12(8-14(9-13)27-2)19-16-3-4-18-15(5-6-24(18)11-25)20(16)28-21(23)17(19)10-22/h3-9,19,25H,11,23H2,1-2H3