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

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)benzamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)benzamide Formula: C28H40N4O3 MolecularWeight: 480.6422

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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)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O3/c1-28(2,3)20-26(33)30-23-11-12-25(24(19-23)27(34)29-13-8-18-35-4)32-16-14-31(15-17-32)21-22-9-6-5-7-10-22/h5-7,9-12,19H,8,13-18,20-21H2,1-4H3,(H,29,34)(H,30,33)