(6-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone

Systemtic Name: (6-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone Openeye Name: (6-bromo-3-methyl-benzofuran-2-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]methanone CAS Name: (6-bromo-3-methyl-2-benzofuranyl)-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]methanone IUPAC Name: (6-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone Traditional Name: (6-bromo-3-methyl-benzofuran-2-yl)-[4-[2-(4-pyridyl)ethyl]piperazino]methanone Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)N3CCN(CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)N3CCN(CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C21H22BrN3O2/c1-15-18-3-2-17(22)14-19(18)27-20(15)21(26)25-12-10-24(11-13-25)9-6-16-4-7-23-8-5-16/h2-5,7-8,14H,6,9-13H2,1H3