1-(2-azanyl-3,3-dimethyl-butanoyl)-4-ethanoyl-5-(1-methylimidazol-4-yl)isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-ethanoyl-5-(1-methylimidazol-4-yl)isoquinoline-3-carbaldehyde Openeye Name: 4-acetyl-1-(2-amino-3,3-dimethyl-butanoyl)-5-(1-methylimidazol-4-yl)isoquinoline-3-carbaldehyde CAS Name: 4-acetyl-1-(2-amino-3,3-dimethyl-1-oxobutyl)-5-(1-methyl-4-imidazolyl)-3-isoquinolinecarboxaldehyde IUPAC Name: 4-acetyl-1-(2-amino-3,3-dimethylbutanoyl)-5-(1-methylimidazol-4-yl)isoquinoline-3-carbaldehyde Traditional Name: 4-acetyl-1-(2-amino-3,3-dimethyl-butanoyl)-5-(1-methylimidazol-4-yl)isoquinoline-3-carbaldehyde Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(C2=C1C(=CC=C2)C3=CN(C=N3)C)C(=O)C(C(C)(C)C)N)C=O

Isomeric SMILES

CC(=O)C1=C(N=C(C2=C1C(=CC=C2)C3=CN(C=N3)C)C(=O)C(C(C)(C)C)N)C=O

InChI

InChI=1S/C22H24N4O3/c1-12(28)17-16(10-27)25-19(20(29)21(23)22(2,3)4)14-8-6-7-13(18(14)17)15-9-26(5)11-24-15/h6-11,21H,23H2,1-5H3