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

Systemtic Name: 5-(1-adamantylcarbamoylamino)-N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-N-butan-2-yl-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C33H45N5O3 MolecularWeight: 559.7421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C33H45N5O3/c1-4-22(2)34-31(39)27-18-26(35-32(40)36-33-19-23-15-24(20-33)17-25(16-23)21-33)9-10-28(27)37-11-13-38(14-12-37)29-7-5-6-8-30(29)41-3/h5-10,18,22-25H,4,11-17,19-21H2,1-3H3,(H,34,39)(H2,35,36,40)