4-(4-aminophenyl)aniline; isoquinoline; methoxybenzene

Systemtic Name: 4-(4-aminophenyl)aniline; isoquinoline; methoxybenzene Openeye Name: anisole; benzidine; isoquinoline CAS Name: 4-(4-aminophenyl)aniline; isoquinoline; methoxybenzene IUPAC Name: 4-(4-aminophenyl)aniline; anisole; isoquinoline Traditional Name: anisole; benzidine; isoquinoline Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1=CC=C2C=NC=CC2=C1.C1=CC(=CC=C1C2=CC=C(C=C2)N)N

Isomeric SMILES

COC1=CC=CC=C1.C1=CC=C2C=NC=CC2=C1.C1=CC(=CC=C1C2=CC=C(C=C2)N)N

InChI

InChI=1S/C12H12N2.C9H7N.C7H8O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-4-9-7-10-6-5-8(9)3-1;1-8-7-5-3-2-4-6-7/h1-8H,13-14H2;1-7H;2-6H,1H3