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

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[2-[1-(triphenylmethyl)-4-imidazolyl]ethyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde Formula: C40H38N4O2 MolecularWeight: 606.75532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=O)N

InChI

InChI=1S/C40H38N4O2/c1-39(2,3)38(41)37(46)36-34-22-14-13-21-32(34)33(35(26-45)43-36)24-23-31-25-44(27-42-31)40(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-22,25-27,38H,23-24,41H2,1-3H3