5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide

Systemtic Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide Openeye Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide CAS Name: 5-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1H-indole-2-carboxamide IUPAC Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1H-indole-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-5-methyl-1H-indole-2-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H23N3O2/c1-13(2)10-20(25)22-16-5-7-17(8-6-16)23-21(26)19-12-15-11-14(3)4-9-18(15)24-19/h4-9,11-13,24H,10H2,1-3H3,(H,22,25)(H,23,26)