6-[4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazino]nicotinamide Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N)OC

InChI

InChI=1S/C21H25BrN4O4/c1-3-10-30-19-16(22)11-15(12-17(19)29-2)21(28)26-8-6-25(7-9-26)18-5-4-14(13-24-18)20(23)27/h4-5,11-13H,3,6-10H2,1-2H3,(H2,23,27)