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

Systemtic Name: 4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[4-(isovalerylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-phenyl-piperazine-1-carboxamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C27H35N5O3/c1-20(2)18-25(33)28-22-10-11-24(23(19-22)26(34)31-12-6-7-13-31)30-14-16-32(17-15-30)27(35)29-21-8-4-3-5-9-21/h3-5,8-11,19-20H,6-7,12-18H2,1-2H3,(H,28,33)(H,29,35)