[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl] ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C20H19ClN4O3/c1-24(11-14-10-23-25(12-14)16-5-3-2-4-6-16)19(26)13-28-20(27)15-7-8-17(21)18(22)9-15/h2-10,12H,11,13,22H2,1H3