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

Systemtic Name: (2S)-1-[(3R,4R)-4-azanyl-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(3R,4R)-4-amino-1-(3-quinolylmethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(3R,4R)-4-amino-1-(3-quinolinylmethyl)-3-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(3R,4R)-4-amino-1-(quinolin-3-ylmethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(3R,4R)-4-amino-1-(3-quinolylmethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carbonitrile Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CN(CC2N)CC3=CC4=CC=CC=C4N=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC4=CC=CC=C4N=C3)C#N

InChI

InChI=1S/C20H23N5O/c21-9-16-5-3-7-25(16)20(26)17-12-24(13-18(17)22)11-14-8-15-4-1-2-6-19(15)23-10-14/h1-2,4,6,8,10,16-18H,3,5,7,11-13,22H2/t16-,17+,18-/m0/s1