4,6-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide Openeye Name: 4,6-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide CAS Name: 4,6-dimethyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1H-indole-2-carboxamide IUPAC Name: 4,6-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C

InChI

InChI=1S/C22H25N3O2/c1-13(2)9-21(26)23-16-5-7-17(8-6-16)24-22(27)20-12-18-15(4)10-14(3)11-19(18)25-20/h5-8,10-13,25H,9H2,1-4H3,(H,23,26)(H,24,27)