N'-(3-acetamidophenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(3-acetamidophenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]oxamide Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N6O3/c1-21(35)31-24-10-5-11-25(17-24)32-28(37)27(36)30-19-26(23-9-6-12-29-18-23)34-15-13-33(14-16-34)20-22-7-3-2-4-8-22/h2-12,17-18,26H,13-16,19-20H2,1H3,(H,30,36)(H,31,35)(H,32,37)