methyl 3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]-2-azanyl-propanoate

Systemtic Name: methyl 3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]-2-azanyl-propanoate Openeye Name: methyl 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]-3-pyridazinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propionic acid methyl ester Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)CN)N

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)CN)N

InChI

InChI=1S/C18H20N6O2/c1-26-18(25)15(20)8-14-10-24(11-21-14)17-7-6-16(22-23-17)13-4-2-12(9-19)3-5-13/h2-7,10-11,15H,8-9,19-20H2,1H3