N-[6-[4-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridin-3-yl]-2-methyl-benzamide

Systemtic Name: N-[6-[4-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridin-3-yl]-2-methyl-benzamide Openeye Name: N-[6-[4-[3-(4-chlorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-3-pyridyl]-2-methyl-benzamide CAS Name: N-[6-[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-3-pyridinyl]-2-methylbenzamide IUPAC Name: N-[6-[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridin-3-yl]-2-methylbenzamide Traditional Name: N-[6-[4-[3-(4-chlorophenoxy)-2-hydroxy-propyl]piperazino]-3-pyridyl]-2-methyl-benzamide Formula: C26H29ClN4O3 MolecularWeight: 480.98646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H29ClN4O3/c1-19-4-2-3-5-24(19)26(33)29-21-8-11-25(28-16-21)31-14-12-30(13-15-31)17-22(32)18-34-23-9-6-20(27)7-10-23/h2-11,16,22,32H,12-15,17-18H2,1H3,(H,29,33)