1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(3-oxidanylpyrrolidin-1-yl)carbonylpiperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-propan-1-one

Systemtic Name: 1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(3-oxidanylpyrrolidin-1-yl)carbonylpiperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-propan-1-one Openeye Name: 1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(3-hydroxypyrrolidine-1-carbonyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-propan-1-one CAS Name: 1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-1-piperazinyl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-1-propanone IUPAC Name: 1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(3-hydroxypyrrolidine-1-carbonyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one Traditional Name: 1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(3-hydroxypyrrolidine-1-carbonyl)piperazino]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-propan-1-one Formula: C35H47N5O3S MolecularWeight: 617.84438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)SC(=C3)C(C)(C)C(=O)C4C5CCC4NC5)CCN6CCN(CC6)C(=O)N7CCC(C7)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)SC(=C3)C(C)(C)C(=O)C4C5CCC4NC5)CCN6CCN(CC6)C(=O)N7CCC(C7)O)C

InChI

InChI=1S/C35H47N5O3S/c1-21-15-22(2)17-24(16-21)31-26(8-9-38-11-13-39(14-12-38)34(43)40-10-7-25(41)20-40)27-18-29(44-33(27)37-31)35(3,4)32(42)30-23-5-6-28(30)36-19-23/h15-18,23,25,28,30,36-37,41H,5-14,19-20H2,1-4H3