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

Systemtic Name: N-butan-2-yl-5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)(C)C)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)(C)C)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C28H40N4O3/c1-7-20(2)29-27(34)22-18-21(30-26(33)19-28(3,4)5)12-13-23(22)31-14-16-32(17-15-31)24-10-8-9-11-25(24)35-6/h8-13,18,20H,7,14-17,19H2,1-6H3,(H,29,34)(H,30,33)