(5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(5-chloro-3,6-dimethyl-benzofuran-2-yl)methanone CAS Name: (5-chloro-3,6-dimethyl-2-benzofuranyl)-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(5-chloro-3,6-dimethyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzhydrylpiperazino)-(5-chloro-3,6-dimethyl-benzofuran-2-yl)methanone Formula: C28H27ClN2O2 MolecularWeight: 458.97918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)Cl

InChI

InChI=1S/C28H27ClN2O2/c1-19-17-25-23(18-24(19)29)20(2)27(33-25)28(32)31-15-13-30(14-16-31)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,26H,13-16H2,1-2H3