5-(3-methylbutanoylamino)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

Systemtic Name: 5-(3-methylbutanoylamino)-1-[(3-methylphenyl)methyl]indole-2-carboxamide Openeye Name: 5-(3-methylbutanoylamino)-1-(m-tolylmethyl)indole-2-carboxamide CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-1-[(3-methylphenyl)methyl]-2-indolecarboxamide IUPAC Name: 5-(3-methylbutanoylamino)-1-[(3-methylphenyl)methyl]indole-2-carboxamide Traditional Name: 5-(isovalerylamino)-1-(3-methylbenzyl)indole-2-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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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=C2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-14(2)9-21(26)24-18-7-8-19-17(11-18)12-20(22(23)27)25(19)13-16-6-4-5-15(3)10-16/h4-8,10-12,14H,9,13H2,1-3H3,(H2,23,27)(H,24,26)