N3-(2,6-dimethylphenyl)-1-(oxan-4-ylmethyl)-N6-phenyl-indazole-3,6-diamine

Systemtic Name: N3-(2,6-dimethylphenyl)-1-(oxan-4-ylmethyl)-N6-phenyl-indazole-3,6-diamine Openeye Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-(tetrahydropyran-4-ylmethyl)indazole-3,6-diamine CAS Name: N3-(2,6-dimethylphenyl)-1-(4-oxanylmethyl)-N6-phenylindazole-3,6-diamine IUPAC Name: 3-N-(2,6-dimethylphenyl)-1-(oxan-4-ylmethyl)-6-N-phenylindazole-3,6-diamine Traditional Name: [6-anilino-1-(tetrahydropyran-4-ylmethyl)indazol-3-yl]-(2,6-dimethylphenyl)amine Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NN(C3=C2C=CC(=C3)NC4=CC=CC=C4)CC5CCOCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN(C3=C2C=CC(=C3)NC4=CC=CC=C4)CC5CCOCC5

InChI

InChI=1S/C27H30N4O/c1-19-7-6-8-20(2)26(19)29-27-24-12-11-23(28-22-9-4-3-5-10-22)17-25(24)31(30-27)18-21-13-15-32-16-14-21/h3-12,17,21,28H,13-16,18H2,1-2H3,(H,29,30)