[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-4-ethyl-hexanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-4-ethyl-hexanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-4-ethyl-hexanoate CAS Name: 3-amino-4-ethylhexanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-4-ethylhexanoate Traditional Name: 3-amino-4-ethyl-hexanoic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CC(=O)OC1=CC=CC=C1NC(=O)NC2=NN=C(C=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCC(CC)C(CC(=O)OC1=CC=CC=C1NC(=O)NC2=NN=C(C=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C25H29N5O3/c1-3-17(4-2)19(26)16-24(31)33-22-13-9-8-12-21(22)27-25(32)28-23-15-14-20(29-30-23)18-10-6-5-7-11-18/h5-15,17,19H,3-4,16,26H2,1-2H3,(H2,27,28,30,32)