2-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: 2-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: 2-(azepan-1-ylmethyleneamino)-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: 2-(1-azepanylmethylideneamino)-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: 2-(azepan-1-ylmethyleneamino)-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N=CN4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N=CN4CCCCCC4)OC

InChI

InChI=1S/C25H27N3O4/c1-30-21-10-7-17(13-23(21)31-2)24-19-9-8-18(29)14-22(19)32-25(20(24)15-26)27-16-28-11-5-3-4-6-12-28/h7-10,13-14,16,24,29H,3-6,11-12H2,1-2H3