1-(2-azanyl-3-methyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[2-(1H-imidazol-5-yl)ethyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN=CN3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN=CN3)C=O)N

InChI

InChI=1S/C20H22N4O2/c1-12(2)18(21)20(26)19-16-6-4-3-5-14(16)15(17(10-25)24-19)8-7-13-9-22-11-23-13/h3-6,9-12,18H,7-8,21H2,1-2H3,(H,22,23)