4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]aniline

Systemtic Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]aniline Openeye Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-benzothiophen-2-yl]aniline CAS Name: 4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]aniline IUPAC Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]aniline Traditional Name: [4-[3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]-6-methyl-benzothiophen-2-yl]phenyl]amine Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)N)CC4=CC(=C(C=C4)CN5CCCC5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)N)CC4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C28H30N2OS/c1-19-5-12-24-25(28(32-27(24)15-19)21-8-10-23(29)11-9-21)16-20-6-7-22(26(17-20)31-2)18-30-13-3-4-14-30/h5-12,15,17H,3-4,13-14,16,18,29H2,1-2H3