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

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[2-(1H-imidazol-5-yl)ethyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)ethyl]isoquinoline-3-carbaldehyde Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-21(2,3)20(22)19(27)18-16-7-5-4-6-14(16)15(17(11-26)25-18)9-8-13-10-23-12-24-13/h4-7,10-12,20H,8-9,22H2,1-3H3,(H,23,24)