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

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[2-[1-(triphenylmethyl)-4-imidazolyl]ethyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carbaldehyde Formula: C39H36N4O2 MolecularWeight: 592.72874

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Descriptors Computed from Structure

Canonical SMILES:

CC(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(=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/C39H36N4O2/c1-27(2)36(40)38(45)37-34-21-13-12-20-32(34)33(35(25-44)42-37)23-22-31-24-43(26-41-31)39(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-21,24-27,36H,22-23,40H2,1-2H3