2,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-(phenylmethyl)pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-(phenylmethyl)pyrrole-3-carboxamide Openeye Name: 1-benzyl-2,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(phenylmethyl)-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-2,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrrole-3-carboxamide Traditional Name: 1-benzyl-N-[4-(isovalerylamino)phenyl]-2,5-dimethyl-pyrrole-3-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C25H29N3O2/c1-17(2)14-24(29)26-21-10-12-22(13-11-21)27-25(30)23-15-18(3)28(19(23)4)16-20-8-6-5-7-9-20/h5-13,15,17H,14,16H2,1-4H3,(H,26,29)(H,27,30)