N-[3-acetamido-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[3-acetamido-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-acetamido-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-acetamido-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)NC(=O)C

InChI

InChI=1S/C21H25N5O3/c1-15(27)23-19-11-18(12-20(13-19)24-16(2)28)21(29)26-9-7-25(8-10-26)14-17-3-5-22-6-4-17/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,27)(H,24,28)