ethyl 3-[(4-butylphenyl)amino]-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 3-[(4-butylphenyl)amino]-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethyl 3-(4-butylanilino)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-(4-butylanilino)-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-butylanilino)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(4-butylanilino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C29H29N3O2 MolecularWeight: 451.55946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NN=C(C(=C2C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NN=C(C(=C2C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O2/c1-3-5-12-21-17-19-24(20-18-21)30-28-26(29(33)34-4-2)25(22-13-8-6-9-14-22)27(31-32-28)23-15-10-7-11-16-23/h6-11,13-20H,3-5,12H2,1-2H3,(H,30,32)