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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CC(C)C3=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)CC(C)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=O)N

InChI

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