(2S)-1-[(2S,4S)-4-[(4-cyanophenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,4S)-4-[(4-cyanophenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,4S)-4-(4-cyanoanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(2S,4S)-4-(4-cyanoanilino)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,4S)-4-(4-cyanoanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,4S)-4-(4-cyanoanilino)prolyl]pyrrolidine-2-carbonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2C[C@@H](CN2)NC3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,16-/m0/s1