(2S)-1-[(2S)-2-azanyl-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]pyrrolidine-2-carbonitrile Formula: C26H30N4O4 MolecularWeight: 462.5408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC(C(=O)N3CCCC3C#N)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C[C@@H](C(=O)N3CCC[C@H]3C#N)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N4O4/c1-33-22-13-18-10-12-30(24(31)15-21(28)26(32)29-11-6-9-19(29)16-27)25(17-7-4-3-5-8-17)20(18)14-23(22)34-2/h3-5,7-8,13-14,19,21,25H,6,9-12,15,28H2,1-2H3/t19-,21-,25?/m0/s1