N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

Systemtic Name: N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[(cyclohexylamino)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C29H41N5O3 MolecularWeight: 507.66754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2CCCCC2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2CCCCC2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H41N5O3/c1-4-21(2)30-28(35)24-20-23(32-29(36)31-22-10-6-5-7-11-22)14-15-25(24)33-16-18-34(19-17-33)26-12-8-9-13-27(26)37-3/h8-9,12-15,20-22H,4-7,10-11,16-19H2,1-3H3,(H,30,35)(H2,31,32,36)