(1R)-2-[(3R,4R)-4-azanyl-1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-yl]carbonylcyclopentane-1-carbonitrile

Systemtic Name: (1R)-2-[(3R,4R)-4-azanyl-1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-yl]carbonylcyclopentane-1-carbonitrile Openeye Name: (1R)-2-[(3R,4R)-4-amino-1-chroman-4-yl-pyrrolidine-3-carbonyl]cyclopentanecarbonitrile CAS Name: (1R)-2-[[(3R,4R)-4-amino-1-(3,4-dihydro-2H-1-benzopyran-4-yl)-3-pyrrolidinyl]-oxomethyl]-1-cyclopentanecarbonitrile IUPAC Name: (1R)-2-[(3R,4R)-4-amino-1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidine-3-carbonyl]cyclopentane-1-carbonitrile Traditional Name: (1R)-2-[(3R,4R)-4-amino-1-chroman-4-yl-pyrrolidine-3-carbonyl]cyclopentanecarbonitrile Formula: C20H25N3O2 MolecularWeight: 339.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C(=O)C2CN(CC2N)C3CCOC4=CC=CC=C34)C#N

Isomeric SMILES

C1C[C@H](C(C1)C(=O)[C@@H]2CN(C[C@@H]2N)C3CCOC4=CC=CC=C34)C#N

InChI

InChI=1S/C20H25N3O2/c21-10-13-4-3-6-14(13)20(24)16-11-23(12-17(16)22)18-8-9-25-19-7-2-1-5-15(18)19/h1-2,5,7,13-14,16-18H,3-4,6,8-9,11-12,22H2/t13-,14?,16+,17-,18?/m0/s1