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

Systemtic Name: 2-(azepan-1-ylmethylideneamino)-4-(4-methoxyphenyl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: 2-(azepan-1-ylmethyleneamino)-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile CAS Name: 2-(1-azepanylmethylideneamino)-7-hydroxy-4-(4-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-(azepan-1-ylmethylideneamino)-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile Traditional Name: 2-(azepan-1-ylmethyleneamino)-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-29-19-9-6-17(7-10-19)23-20-11-8-18(28)14-22(20)30-24(21(23)15-25)26-16-27-12-4-2-3-5-13-27/h6-11,14,16,23,28H,2-5,12-13H2,1H3