3-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carbonitrile

Systemtic Name: 3-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carbonitrile Openeye Name: 3-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carbonitrile CAS Name: 3-[4-[oxo-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]phenyl]-2-thiophenecarbonitrile IUPAC Name: 3-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carbonitrile Traditional Name: 3-[4-[(2S)-2-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carbonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)C4=C(SC=C4)C#N

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)C4=C(SC=C4)C#N

InChI

InChI=1S/C21H23N3OS/c22-14-20-19(9-13-26-20)16-5-7-17(8-6-16)21(25)24-12-3-4-18(24)15-23-10-1-2-11-23/h5-9,13,18H,1-4,10-12,15H2/t18-/m0/s1