4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-(phenanthren-9-ylmethyl)-1,2,3-triazole

Systemtic Name: 4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-(phenanthren-9-ylmethyl)-1,2,3-triazole Openeye Name: 4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-(9-phenanthrylmethyl)triazole CAS Name: 4-[3-methoxy-4-(1-methyl-4-pyrazolyl)phenyl]-1-(9-phenanthrenylmethyl)triazole IUPAC Name: 4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-(phenanthren-9-ylmethyl)triazole Traditional Name: 4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-(9-phenanthrylmethyl)triazole Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C(C=C(C=C2)C3=CN(N=N3)CC4=CC5=CC=CC=C5C6=CC=CC=C64)OC

Isomeric SMILES

CN1C=C(C=N1)C2=C(C=C(C=C2)C3=CN(N=N3)CC4=CC5=CC=CC=C5C6=CC=CC=C64)OC

InChI

InChI=1S/C28H23N5O/c1-32-16-22(15-29-32)25-12-11-20(14-28(25)34-2)27-18-33(31-30-27)17-21-13-19-7-3-4-8-23(19)26-10-6-5-9-24(21)26/h3-16,18H,17H2,1-2H3