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

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[3-(1H-imidazol-2-yl)propyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(1H-imidazol-2-yl)propyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[3-(1H-imidazol-2-yl)propyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[3-(1H-imidazol-2-yl)propyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(1H-imidazol-2-yl)propyl]isoquinoline-3-carbaldehyde Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCC3=NC=CN3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCC3=NC=CN3)C=O)N

InChI

InChI=1S/C21H24N4O2/c1-13(2)19(22)21(27)20-16-7-4-3-6-14(16)15(17(12-26)25-20)8-5-9-18-23-10-11-24-18/h3-4,6-7,10-13,19H,5,8-9,22H2,1-2H3,(H,23,24)