4-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-ylmethylideneamino)-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-ylmethylideneamino)-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-ylmethyleneamino)-4H-benzo[h]chromene-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinylmethylideneamino)-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-ylmethylideneamino)-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(pyrrolidinomethyleneamino)-4H-benzo[h]chromene-3-carbonitrile Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N=CN5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N=CN5CCCC5)OC

InChI

InChI=1S/C27H25N3O3/c1-31-23-12-10-19(15-24(23)32-2)25-21-11-9-18-7-3-4-8-20(18)26(21)33-27(22(25)16-28)29-17-30-13-5-6-14-30/h3-4,7-12,15,17,25H,5-6,13-14H2,1-2H3