(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(2-pyridylmethyl)piperazin-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(2-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(2-pyridylmethyl)piperazino]methanone Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC=N3)OC

InChI

InChI=1S/C21H26BrN3O3/c1-3-12-28-20-18(22)13-16(14-19(20)27-2)21(26)25-10-8-24(9-11-25)15-17-6-4-5-7-23-17/h4-7,13-14H,3,8-12,15H2,1-2H3