[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(4-methylphenyl)-1-benzothiophen-3-yl]methanone

Systemtic Name: [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(4-methylphenyl)-1-benzothiophen-3-yl]methanone Openeye Name: [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(p-tolyl)benzothiophen-3-yl]methanone CAS Name: [3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]-[2-(4-methylphenyl)-1-benzothiophen-3-yl]methanone IUPAC Name: [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(4-methylphenyl)-1-benzothiophen-3-yl]methanone Traditional Name: [3-methoxy-4-(pyrrolidinomethyl)phenyl]-[2-(p-tolyl)benzothiophen-3-yl]methanone Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)CN5CCCC5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C28H27NO2S/c1-19-9-11-20(12-10-19)28-26(23-7-3-4-8-25(23)32-28)27(30)21-13-14-22(24(17-21)31-2)18-29-15-5-6-16-29/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3