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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C21H26N4O3/c1-15(2)9-12-28-18-6-3-16(4-7-18)21(27)24-17-5-8-19(23-13-17)25-11-10-22-20(26)14-25/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)(H,24,27)