2-[(E)-azepan-1-ylmethylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

Systemtic Name: 2-[(E)-azepan-1-ylmethylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile Openeye Name: 2-[(E)-azepan-1-ylmethyleneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile CAS Name: 2-[(E)-1-azepanylmethylideneamino]-4,5-bis(4-methoxyphenyl)-3-furancarbonitrile IUPAC Name: 2-[(E)-azepan-1-ylmethylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile Traditional Name: 2-[(E)-azepan-1-ylmethyleneamino]-4,5-bis(4-methoxyphenyl)-3-furonitrile Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N=CN3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)/N=C/N3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O3/c1-30-21-11-7-19(8-12-21)24-23(17-27)26(28-18-29-15-5-3-4-6-16-29)32-25(24)20-9-13-22(31-2)14-10-20/h7-14,18H,3-6,15-16H2,1-2H3/b28-18+