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

Systemtic Name: N-butan-2-yl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[(2-ethyl-1-oxohexyl)amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C30H44N4O3 MolecularWeight: 508.69536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NC(C)CC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NC(C)CC

InChI

InChI=1S/C30H44N4O3/c1-6-9-12-23(8-3)29(35)32-24-15-16-26(25(21-24)30(36)31-22(4)7-2)33-17-19-34(20-18-33)27-13-10-11-14-28(27)37-5/h10-11,13-16,21-23H,6-9,12,17-20H2,1-5H3,(H,31,36)(H,32,35)