1-[4-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[(5-amino-2,4,6,7-tetramethyl-coumaran-2-yl)methyl]piperazino]-4-phenyl-butan-1-one Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C)N

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C)N

InChI

InChI=1S/C27H37N3O2/c1-19-20(2)26-23(21(3)25(19)28)17-27(4,32-26)18-29-13-15-30(16-14-29)24(31)12-8-11-22-9-6-5-7-10-22/h5-7,9-10H,8,11-18,28H2,1-4H3