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

Systemtic Name: 4-[3-(1H-imidazol-5-yl)propanoyl]-1-[3-methyl-2-(methylamino)butanoyl]isoquinoline-3-carbaldehyde Openeye Name: 4-[3-(1H-imidazol-5-yl)propanoyl]-1-[3-methyl-2-(methylamino)butanoyl]isoquinoline-3-carbaldehyde CAS Name: 4-[3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[3-methyl-2-(methylamino)-1-oxobutyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 4-[3-(1H-imidazol-5-yl)propanoyl]-1-[3-methyl-2-(methylamino)butanoyl]isoquinoline-3-carbaldehyde Traditional Name: 4-[3-(1H-imidazol-5-yl)propanoyl]-1-[3-methyl-2-(methylamino)butanoyl]isoquinoline-3-carbaldehyde Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-13(2)20(23-3)22(29)21-16-7-5-4-6-15(16)19(17(11-27)26-21)18(28)9-8-14-10-24-12-25-14/h4-7,10-13,20,23H,8-9H2,1-3H3,(H,24,25)