ethyl 5-azanyl-1-[4-[[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]benzyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C30H27N7O3 MolecularWeight: 533.58048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)CC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)CC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C30H27N7O3/c1-2-40-29(38)24-19-32-37(28(24)31)23-14-12-20(13-15-23)18-22-10-6-7-11-25(22)33-30(39)34-27-17-16-26(35-36-27)21-8-4-3-5-9-21/h3-17,19H,2,18,31H2,1H3,(H2,33,34,36,39)