3,4,5-triethoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3,4,5-triethoxybenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3,4,5-triethoxy-benzamide Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H40N4O4/c1-4-37-28-19-26(20-29(38-5-2)30(28)39-6-3)31(36)33-22-27(25-13-10-14-32-21-25)35-17-15-34(16-18-35)23-24-11-8-7-9-12-24/h7-14,19-21,27H,4-6,15-18,22-23H2,1-3H3,(H,33,36)