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

Systemtic Name: N-tert-butyl-4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[4-[(3-methyl-1-oxobutyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[4-(isovalerylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Formula: C25H39N5O3 MolecularWeight: 457.60886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC(C)(C)C)C(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC(C)(C)C)C(=O)N3CCCC3

InChI

InChI=1S/C25H39N5O3/c1-18(2)16-22(31)26-19-8-9-21(20(17-19)23(32)29-10-6-7-11-29)28-12-14-30(15-13-28)24(33)27-25(3,4)5/h8-9,17-18H,6-7,10-16H2,1-5H3,(H,26,31)(H,27,33)