5-(3,3-dimethylbutanoylamino)-1-[(3-methylphenyl)methyl]-N-phenyl-indole-2-carboxamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(3-methylphenyl)methyl]-N-phenyl-indole-2-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-(m-tolylmethyl)-N-phenyl-indole-2-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(3-methylphenyl)methyl]-N-phenyl-2-indolecarboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(3-methylbenzyl)-N-phenyl-indole-2-carboxamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)NC(=O)CC(C)(C)C)C=C2C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)NC(=O)CC(C)(C)C)C=C2C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c1-20-9-8-10-21(15-20)19-32-25-14-13-24(30-27(33)18-29(2,3)4)16-22(25)17-26(32)28(34)31-23-11-6-5-7-12-23/h5-17H,18-19H2,1-4H3,(H,30,33)(H,31,34)