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

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-[2-[1-(triphenylmethyl)imidazol-4-yl]propyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)propyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[2-[1-(triphenylmethyl)-4-imidazolyl]propyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-[2-(1-tritylimidazol-4-yl)propyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)propyl]isoquinoline-3-carbaldehyde Formula: C41H40N4O2 MolecularWeight: 620.7819

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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(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(CC1=C(N=C(C2=CC=CC=C21)C(=O)C(C(C)(C)C)N)C=O)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H40N4O2/c1-28(24-34-32-22-14-15-23-33(32)37(44-36(34)26-46)38(47)39(42)40(2,3)4)35-25-45(27-43-35)41(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-23,25-28,39H,24,42H2,1-4H3