4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[4-(isovalerylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC(C)C)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC(C)C)C(=O)N4CCCC4

InChI

InChI=1S/C28H37N5O3/c1-20(2)17-26(34)29-23-9-10-25(24(19-23)27(35)32-11-4-5-12-32)31-13-15-33(16-14-31)28(36)30-22-8-6-7-21(3)18-22/h6-10,18-20H,4-5,11-17H2,1-3H3,(H,29,34)(H,30,36)