(2S)-1-[(3R,4R)-4-azanyl-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(3R,4R)-4-azanyl-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(3R,4R)-4-amino-1-[(4-cyanophenyl)methyl]pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(3R,4R)-4-amino-1-[(4-cyanophenyl)methyl]-3-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(3R,4R)-4-amino-1-[(4-cyanophenyl)methyl]pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(3R,4R)-4-amino-1-(4-cyanobenzyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CN(CC2N)CC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C18H21N5O/c19-8-13-3-5-14(6-4-13)10-22-11-16(17(21)12-22)18(24)23-7-1-2-15(23)9-20/h3-6,15-17H,1-2,7,10-12,21H2/t15-,16+,17-/m0/s1