3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

Systemtic Name: 3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide Openeye Name: 3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide CAS Name: 3-ethynyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzamide IUPAC Name: 3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide Traditional Name: 3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzamide Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H29N3O2/c1-3-20-9-8-10-21(19-20)24(28)25-13-6-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)29-2/h1,4-5,8-12,19H,6-7,13-18H2,2H3,(H,25,28)