[2-[4-(aminomethyl)-2-methyl-pyrazol-3-yl]-5-chloranyl-phenyl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [2-[4-(aminomethyl)-2-methyl-pyrazol-3-yl]-5-chloranyl-phenyl]-phenyl-methanone; ethanedioic acid Openeye Name: [2-[4-(aminomethyl)-2-methyl-pyrazol-3-yl]-5-chloro-phenyl]-phenyl-methanone; oxalic acid CAS Name: [2-[4-(aminomethyl)-2-methyl-3-pyrazolyl]-5-chlorophenyl]-phenylmethanone; oxalic acid IUPAC Name: [2-[4-(aminomethyl)-2-methylpyrazol-3-yl]-5-chlorophenyl]-phenylmethanone; oxalic acid Traditional Name: [2-[4-(aminomethyl)-2-methyl-pyrazol-3-yl]-5-chloro-phenyl]-phenyl-methanone; oxalic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=C(C=N1)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16ClN3O.C2H2O4/c1-22-17(13(10-20)11-21-22)15-8-7-14(19)9-16(15)18(23)12-5-3-2-4-6-12;3-1(4)2(5)6/h2-9,11H,10,20H2,1H3;(H,3,4)(H,5,6)