methyl 4-[2-(3,3-dimethylbutanoylamino)-4-piperazin-1-ylcarbonyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-piperazin-1-ylcarbonyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C23H35N5O4/c1-23(2,3)16-20(29)25-18-15-17(21(30)27-9-7-24-8-10-27)5-6-19(18)26-11-13-28(14-12-26)22(31)32-4/h5-6,15,24H,7-14,16H2,1-4H3,(H,25,29)