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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C

InChI

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