[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-[4-methyl-3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)N5C=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)N5C=CC=C5

InChI

InChI=1S/C25H27N3O2/c1-19-4-6-22(17-23(19)27-9-2-3-10-27)25(29)28-13-11-26(12-14-28)18-20-5-7-24-21(16-20)8-15-30-24/h2-7,9-10,16-17H,8,11-15,18H2,1H3