[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-naphthalen-1-yl-propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-naphthalen-1-yl-propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(1-naphthyl)propanoate CAS Name: 3-amino-3-(1-naphthalenyl)propanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-naphthalen-1-ylpropanoate Traditional Name: 3-amino-3-(1-naphthyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C30H25N5O3 MolecularWeight: 503.5512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC=CC5=CC=CC=C54)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC=CC5=CC=CC=C54)N

InChI

InChI=1S/C30H25N5O3/c31-24(23-14-8-12-20-9-4-5-13-22(20)23)19-29(36)38-27-16-7-6-15-26(27)32-30(37)33-28-18-17-25(34-35-28)21-10-2-1-3-11-21/h1-18,24H,19,31H2,(H2,32,33,35,37)