methyl 2-[[6-chloranyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[6-chloranyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4-benzyl-6-chloro-3-oxo-pyrazin-2-yl)amino]-3-phenyl-propanoate CAS Name: 2-[[6-chloro-3-oxo-4-(phenylmethyl)-2-pyrazinyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(4-benzyl-6-chloro-3-keto-pyrazin-2-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=NC(=CN(C2=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC2=NC(=CN(C2=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-28-21(27)17(12-15-8-4-2-5-9-15)23-19-20(26)25(14-18(22)24-19)13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,24)