1-(3-chlorophenyl)-3-cyano-N-[(2S)-5-(diethylamino)pentan-2-yl]pyrrole-2-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-3-cyano-N-[(2S)-5-(diethylamino)pentan-2-yl]pyrrole-2-carboxamide Openeye Name: 1-(3-chlorophenyl)-3-cyano-N-[(1S)-4-(diethylamino)-1-methyl-butyl]pyrrole-2-carboxamide CAS Name: 1-(3-chlorophenyl)-3-cyano-N-[(2S)-5-(diethylamino)pentan-2-yl]-2-pyrrolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-3-cyano-N-[(2S)-5-(diethylamino)pentan-2-yl]pyrrole-2-carboxamide Traditional Name: 1-(3-chlorophenyl)-3-cyano-N-[(1S)-4-(diethylamino)-1-methyl-butyl]pyrrole-2-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=C(C=CN1C2=CC(=CC=C2)Cl)C#N

Isomeric SMILES

CCN(CC)CCC[C@H](C)NC(=O)C1=C(C=CN1C2=CC(=CC=C2)Cl)C#N

InChI

InChI=1S/C21H27ClN4O/c1-4-25(5-2)12-7-8-16(3)24-21(27)20-17(15-23)11-13-26(20)19-10-6-9-18(22)14-19/h6,9-11,13-14,16H,4-5,7-8,12H2,1-3H3,(H,24,27)/t16-/m0/s1