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

Systemtic Name: 1-[2-azanyl-4-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-4-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-4-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,4-dioxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-4-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-4-keto-4-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]butanoyl]pyrrolidine-2-carbonitrile Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N2CC3=CC=CC=C3CC2CO)N)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)N2CC3=CC=CC=C3C[C@H]2CO)N)C#N

InChI

InChI=1S/C19H24N4O3/c20-10-15-6-3-7-22(15)19(26)17(21)9-18(25)23-11-14-5-2-1-4-13(14)8-16(23)12-24/h1-2,4-5,15-17,24H,3,6-9,11-12,21H2/t15?,16-,17?/m0/s1