4-(azepan-1-ylcarbonyl)-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 4-(azepan-1-ylcarbonyl)-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-(azepane-1-carbonyl)-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 4-[1-azepanyl(oxo)methyl]-5-methyl-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-(azepane-1-carbonyl)-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 4-(azepane-1-carbonyl)-5-methyl-2-pyrrol-1-yl-3-furonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H19N3O2/c1-13-15(16(21)19-8-4-2-3-5-9-19)14(12-18)17(22-13)20-10-6-7-11-20/h6-7,10-11H,2-5,8-9H2,1H3