methyl N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)OC

InChI

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