N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-yl-benzamide

Systemtic Name: N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-yl-benzamide Openeye Name: N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-pyridyl)benzamide CAS Name: N-[4-butoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-pyridin-4-ylbenzamide IUPAC Name: N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide Traditional Name: N-[4-butoxy-3-(4-methylpiperazino)phenyl]-4-(4-pyridyl)benzamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3)N4CCN(CC4)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3)N4CCN(CC4)C

InChI

InChI=1S/C27H32N4O2/c1-3-4-19-33-26-10-9-24(20-25(26)31-17-15-30(2)16-18-31)29-27(32)23-7-5-21(6-8-23)22-11-13-28-14-12-22/h5-14,20H,3-4,15-19H2,1-2H3,(H,29,32)