N-cyclohexyl-5-(3,3-dimethylbutanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-cyclohexyl-5-(3,3-dimethylbutanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3,3-dimethylbutanoylamino)benzamide CAS Name: N-cyclohexyl-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3,3-dimethylbutanoylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-cyclohexyl-5-(3,3-dimethylbutanoylamino)benzamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C30H42N4O2/c1-30(2,3)21-28(35)31-25-14-15-27(26(20-25)29(36)32-24-12-8-5-9-13-24)34-18-16-33(17-19-34)22-23-10-6-4-7-11-23/h4,6-7,10-11,14-15,20,24H,5,8-9,12-13,16-19,21-22H2,1-3H3,(H,31,35)(H,32,36)