4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-5-methyl-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-(4-p-anisyl-1,4-diazepane-1-carbonyl)-2-pyrrol-1-yl-3-furonitrile Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N4O3/c1-18-22(21(16-25)24(31-18)28-11-3-4-12-28)23(29)27-13-5-10-26(14-15-27)17-19-6-8-20(30-2)9-7-19/h3-4,6-9,11-12H,5,10,13-15,17H2,1-2H3