cyclobutyl-[3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone

Systemtic Name: cyclobutyl-[3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone Openeye Name: cyclobutyl-[4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)-2-(piperazine-1-carbonyl)-5-styryl-pyrrolidin-1-yl]methanone CAS Name: cyclobutyl-[4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-[oxo(1-piperazinyl)methyl]-5-(2-phenylethenyl)-1-pyrrolidinyl]methanone IUPAC Name: cyclobutyl-[3-(2-methylbenzoyl)-4-(3-methylthiophen-2-yl)-2-(2-phenylethenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]methanone Traditional Name: cyclobutyl-[3-(3-methyl-2-thienyl)-4-o-toluoyl-2-(piperazine-1-carbonyl)-5-styryl-pyrrolidino]methanone Formula: C35H39N3O3S MolecularWeight: 581.76746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C=CC5=CC=CC=C5)C(=O)C6=CC=CC=C6C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C=CC5=CC=CC=C5)C(=O)C6=CC=CC=C6C

InChI

InChI=1S/C35H39N3O3S/c1-23-9-6-7-14-27(23)32(39)29-28(16-15-25-10-4-3-5-11-25)38(34(40)26-12-8-13-26)31(30(29)33-24(2)17-22-42-33)35(41)37-20-18-36-19-21-37/h3-7,9-11,14-17,22,26,28-31,36H,8,12-13,18-21H2,1-2H3