1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-(phenylmethyl)isoquinoline

Systemtic Name: 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-(phenylmethyl)isoquinoline Openeye Name: 5-benzyl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]isoquinoline CAS Name: 1-[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]-5-(phenylmethyl)isoquinoline IUPAC Name: 5-benzyl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]isoquinoline Traditional Name: 5-benzyl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]isoquinoline Formula: C27H23N3O MolecularWeight: 405.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NC=CC4=C3C=CC=C4CC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NC=CC4=C3C=CC=C4CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N3O/c1-19-17-30(18-29-19)25-12-11-22(16-26(25)31-2)27-24-10-6-9-21(23(24)13-14-28-27)15-20-7-4-3-5-8-20/h3-14,16-18H,15H2,1-2H3