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

Systemtic Name: 2-azanyl-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Openeye Name: 2-amino-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-e]indole-3-carbonitrile CAS Name: 2-amino-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-e]indole-3-carbonitrile IUPAC Name: 2-amino-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Traditional Name: 2-amino-7-methylol-4-(3,4,5-trimethoxyphenyl)-4H-pyran[2,3-e]indole-3-carbonitrile Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(C4=C(C=C3)N(C=C4)CO)OC(=C2C#N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(C4=C(C=C3)N(C=C4)CO)OC(=C2C#N)N

InChI

InChI=1S/C22H21N3O5/c1-27-17-8-12(9-18(28-2)21(17)29-3)19-14-4-5-16-13(6-7-25(16)11-26)20(14)30-22(24)15(19)10-23/h4-9,19,26H,11,24H2,1-3H3