N-(4-chlorophenyl)-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[2-[diethylamino(oxo)methyl]-4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[2-(diethylcarbamoyl)-4-(isovalerylamino)phenyl]piperazine-1-carboxamide Formula: C27H36ClN5O3 MolecularWeight: 514.05944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CC(C)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CC(C)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H36ClN5O3/c1-5-31(6-2)26(35)23-18-22(29-25(34)17-19(3)4)11-12-24(23)32-13-15-33(16-14-32)27(36)30-21-9-7-20(28)8-10-21/h7-12,18-19H,5-6,13-17H2,1-4H3,(H,29,34)(H,30,36)