N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-3-(triphenylmethyl)imidazole-4-carboxamide

Systemtic Name: N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-3-(triphenylmethyl)imidazole-4-carboxamide Openeye Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]-3-trityl-imidazole-4-carboxamide CAS Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(triphenylmethyl)-4-imidazolecarboxamide IUPAC Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-tritylimidazole-4-carboxamide Traditional Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]-3-trityl-imidazole-4-carboxamide Formula: C38H36N4O3 MolecularWeight: 596.71744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NC(=O)C3=CN=CN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NC(=O)C3=CN=CN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H36N4O3/c1-26(2)34(36(44)35-32-21-13-12-14-27(32)22-31(24-43)40-35)41-37(45)33-23-39-25-42(33)38(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-21,23-26,31,34-35,40H,22H2,1-2H3,(H,41,45)