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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O3/c1-3-4-5-6-7-12-28(34)30-23-15-16-25(24(21-23)29(35)31-22-13-14-22)32-17-19-33(20-18-32)26-10-8-9-11-27(26)36-2/h8-11,15-16,21-22H,3-7,12-14,17-20H2,1-2H3,(H,30,34)(H,31,35)