4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-chloro-N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-chloro-N-[4-(isobutyrylamino)benzyl]-1H-pyrrole-2-carboxamide Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-10(2)15(21)20-13-5-3-11(4-6-13)8-19-16(22)14-7-12(17)9-18-14/h3-7,9-10,18H,8H2,1-2H3,(H,19,22)(H,20,21)