(2S)-1-[2-azanyl-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-azanyl-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-amino-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-amino-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-1,4-dioxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-amino-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-4-oxobutanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-amino-4-(6,7-dimethoxy-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-4-keto-butanoyl]pyrrolidine-2-carbonitrile Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2CCN1C(=O)CC(C(=O)N3CCCC3C#N)N)OC)OC)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2CCN1C(=O)CC(C(=O)N3CCC[C@H]3C#N)N)OC)OC)C

InChI

InChI=1S/C22H30N4O4/c1-22(2)16-11-19(30-4)18(29-3)10-14(16)7-9-26(22)20(27)12-17(24)21(28)25-8-5-6-15(25)13-23/h10-11,15,17H,5-9,12,24H2,1-4H3/t15-,17?/m0/s1