N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-pentoxy-benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-pentoxy-benzamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-pentoxy-benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-pentoxybenzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[6-(3-ketopiperazino)-3-pyridyl]benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C21H26N4O3/c1-2-3-4-13-28-18-8-5-16(6-9-18)21(27)24-17-7-10-19(23-14-17)25-12-11-22-20(26)15-25/h5-10,14H,2-4,11-13,15H2,1H3,(H,22,26)(H,24,27)