4-(4-azanyl-2-pyrrolidin-1-ylcarbonyl-phenyl)-N-tert-butyl-piperazine-1-carboxamide

Systemtic Name: 4-(4-azanyl-2-pyrrolidin-1-ylcarbonyl-phenyl)-N-tert-butyl-piperazine-1-carboxamide Openeye Name: 4-[4-amino-2-(pyrrolidine-1-carbonyl)phenyl]-N-tert-butyl-piperazine-1-carboxamide CAS Name: 4-[4-amino-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-tert-butyl-1-piperazinecarboxamide IUPAC Name: 4-[4-amino-2-(pyrrolidine-1-carbonyl)phenyl]-N-tert-butylpiperazine-1-carboxamide Traditional Name: 4-[4-amino-2-(pyrrolidine-1-carbonyl)phenyl]-N-tert-butyl-piperazine-1-carboxamide Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)N3CCCC3

InChI

InChI=1S/C20H31N5O2/c1-20(2,3)22-19(27)25-12-10-23(11-13-25)17-7-6-15(21)14-16(17)18(26)24-8-4-5-9-24/h6-7,14H,4-5,8-13,21H2,1-3H3,(H,22,27)