N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-2-phenylazanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-2-phenylazanyl-pyridine-3-carboxamide Openeye Name: 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxy-propyl]pyridine-3-carboxamide CAS Name: 2-anilino-N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]-3-pyridinecarboxamide IUPAC Name: 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide Traditional Name: 2-anilino-N-[2-hydroxy-3-(4-o-phenetylpiperazino)propyl]nicotinamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4)O

InChI

InChI=1S/C27H33N5O3/c1-2-35-25-13-7-6-12-24(25)32-17-15-31(16-18-32)20-22(33)19-29-27(34)23-11-8-14-28-26(23)30-21-9-4-3-5-10-21/h3-14,22,33H,2,15-20H2,1H3,(H,28,30)(H,29,34)