(2S)-1-[2-[[(3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxidanylidene-pentan-3-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[(3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxidanylidene-pentan-3-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[(1R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-isopropyl-3-oxo-propyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[[(3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-3-yl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[(3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-3-yl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[(1R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-isopropyl-3-keto-propyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N1CCC2=CC=CC=C2C1)NCC(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)[C@@H](CC(=O)N1CCC2=CC=CC=C2C1)NCC(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C22H30N4O2/c1-16(2)20(24-14-22(28)26-10-5-8-19(26)13-23)12-21(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,16,19-20,24H,5,8-12,14-15H2,1-2H3/t19-,20+/m0/s1