2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(oxiran-2-ylmethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(oxiran-2-ylmethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-(oxiran-2-ylmethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(2-oxiranylmethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(oxiran-2-ylmethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-glycidyl-4H-pyran[2,3-e]indole-3-carbonitrile Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)CC5CO5)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)CC5CO5)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C23H20BrN3O4/c1-28-19-8-12(7-17(24)22(19)29-2)20-15-3-4-18-14(5-6-27(18)10-13-11-30-13)21(15)31-23(26)16(20)9-25/h3-8,13,20H,10-11,26H2,1-2H3