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

Systemtic Name: N-cyclopropyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: N-cyclopropyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide CAS Name: N-cyclopropyl-5-[(2-ethyl-1-oxohexyl)amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-cyclopropyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: N-cyclopropyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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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)NC4CC4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NC4CC4

InChI

InChI=1S/C29H40N4O3/c1-4-6-9-21(5-2)28(34)31-23-14-15-25(24(20-23)29(35)30-22-12-13-22)32-16-18-33(19-17-32)26-10-7-8-11-27(26)36-3/h7-8,10-11,14-15,20-22H,4-6,9,12-13,16-19H2,1-3H3,(H,30,35)(H,31,34)