N-[4-(3-azanylpropyl)phenyl]-4-bromanyl-5-[(2-chlorophenyl)carbonylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(3-azanylpropyl)phenyl]-4-bromanyl-5-[(2-chlorophenyl)carbonylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(3-aminopropyl)phenyl]-4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(3-aminopropyl)phenyl]-4-bromo-5-[[(2-chlorophenyl)-oxomethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(3-aminopropyl)phenyl]-4-bromo-5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-(3-aminopropyl)phenyl]-4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-pyrazole-3-carboxamide Formula: C21H21BrClN5O2 MolecularWeight: 490.78074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)CCCN)Br)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)CCCN)Br)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21BrClN5O2/c1-28-19(26-20(29)15-6-2-3-7-16(15)23)17(22)18(27-28)21(30)25-14-10-8-13(9-11-14)5-4-12-24/h2-3,6-11H,4-5,12,24H2,1H3,(H,25,30)(H,26,29)