1-[3-[(2-azanyl-2-methyl-3-phenyl-propoxy)methyl]-5-(2-ethynylpyrrolidin-1-yl)carbonyl-phenyl]cyclopentane-1-carbonitrile

Systemtic Name: 1-[3-[(2-azanyl-2-methyl-3-phenyl-propoxy)methyl]-5-(2-ethynylpyrrolidin-1-yl)carbonyl-phenyl]cyclopentane-1-carbonitrile Openeye Name: 1-[3-[(2-amino-2-methyl-3-phenyl-propoxy)methyl]-5-(2-ethynylpyrrolidine-1-carbonyl)phenyl]cyclopentanecarbonitrile CAS Name: 1-[3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[(2-ethynyl-1-pyrrolidinyl)-oxomethyl]phenyl]-1-cyclopentanecarbonitrile IUPAC Name: 1-[3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-(2-ethynylpyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carbonitrile Traditional Name: 1-[3-[(2-amino-2-methyl-3-phenyl-propoxy)methyl]-5-(2-ethynylpyrrolidine-1-carbonyl)phenyl]cyclopentanecarbonitrile Formula: C30H35N3O2 MolecularWeight: 469.6178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(COCC2=CC(=CC(=C2)C3(CCCC3)C#N)C(=O)N4CCCC4C#C)N

Isomeric SMILES

CC(CC1=CC=CC=C1)(COCC2=CC(=CC(=C2)C3(CCCC3)C#N)C(=O)N4CCCC4C#C)N

InChI

InChI=1S/C30H35N3O2/c1-3-27-12-9-15-33(27)28(34)25-16-24(17-26(18-25)30(21-31)13-7-8-14-30)20-35-22-29(2,32)19-23-10-5-4-6-11-23/h1,4-6,10-11,16-18,27H,7-9,12-15,19-20,22,32H2,2H3