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

Systemtic Name: [4-(imidazol-1-ylmethyl)-3-methoxy-phenyl]-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: [4-(imidazol-1-ylmethyl)-3-methoxy-phenyl]-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: [4-(1-imidazolylmethyl)-3-methoxyphenyl]-[6-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: [4-(imidazol-1-ylmethyl)-3-methoxyphenyl]-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: [4-(imidazol-1-ylmethyl)-3-methoxy-phenyl]-[6-methyl-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C33H33N3O3S MolecularWeight: 551.69842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)CN6C=CN=C6)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)CN6C=CN=C6)OC

InChI

InChI=1S/C33H33N3O3S/c1-23-5-12-28-30(19-23)40-33(24-8-10-27(11-9-24)39-18-17-35-14-3-4-15-35)31(28)32(37)25-6-7-26(29(20-25)38-2)21-36-16-13-34-22-36/h5-13,16,19-20,22H,3-4,14-15,17-18,21H2,1-2H3