1-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Systemtic Name: 1-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-(1H-imidazol-5-ylmethylamino)-3-methylbutanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCC3=CN=CN3

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCC3=CN=CN3

InChI

InChI=1S/C19H24N4O2/c1-12(2)17(21-9-15-8-20-11-22-15)19(25)18-16-6-4-3-5-13(16)7-14(10-24)23-18/h3-6,8,10-12,14,17-18,21,23H,7,9H2,1-2H3,(H,20,22)