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

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)propyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)propyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[2-(1H-imidazol-5-yl)propyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-[2-(1H-imidazol-5-yl)propyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1H-imidazol-5-yl)propyl]isoquinoline-3-carbaldehyde Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N=C(C2=CC=CC=C21)C(=O)C(C(C)(C)C)N)C=O)C3=CN=CN3

Isomeric SMILES

CC(CC1=C(N=C(C2=CC=CC=C21)C(=O)C(C(C)(C)C)N)C=O)C3=CN=CN3

InChI

InChI=1S/C22H26N4O2/c1-13(17-10-24-12-25-17)9-16-14-7-5-6-8-15(14)19(26-18(16)11-27)20(28)21(23)22(2,3)4/h5-8,10-13,21H,9,23H2,1-4H3,(H,24,25)