3-(azepan-1-ylcarbonyl)-5-phenyl-thiophene-2-carbonitrile

Systemtic Name: 3-(azepan-1-ylcarbonyl)-5-phenyl-thiophene-2-carbonitrile Openeye Name: 3-(azepane-1-carbonyl)-5-phenyl-thiophene-2-carbonitrile CAS Name: 3-[1-azepanyl(oxo)methyl]-5-phenyl-2-thiophenecarbonitrile IUPAC Name: 3-(azepane-1-carbonyl)-5-phenylthiophene-2-carbonitrile Traditional Name: 3-(azepane-1-carbonyl)-5-phenyl-thiophene-2-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(SC(=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(SC(=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N2OS/c19-13-17-15(18(21)20-10-6-1-2-7-11-20)12-16(22-17)14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11H2