4-tert-butyl-N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C32H45N5O3 MolecularWeight: 547.7314

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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)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H45N5O3/c1-31(2,3)22-28(38)36-19-17-35(18-20-36)27-12-9-24(30(40)37-15-13-33-14-16-37)21-26(27)34-29(39)23-7-10-25(11-8-23)32(4,5)6/h7-12,21,33H,13-20,22H2,1-6H3,(H,34,39)