3-(4-chlorophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-N-propan-2-yl-5-thiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-N-propan-2-yl-5-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 4-benzoyl-3-(4-chlorophenyl)-N-isopropyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 4-benzoyl-3-(4-chlorophenyl)-2-[oxo(1-piperazinyl)methyl]-N-propan-2-yl-5-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 4-benzoyl-3-(4-chlorophenyl)-2-(piperazine-1-carbonyl)-N-propan-2-yl-5-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: 4-benzoyl-3-(4-chlorophenyl)-N-isopropyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide Formula: C30H33ClN4O3S MolecularWeight: 565.12602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(C)NC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C30H33ClN4O3S/c1-19(2)33-30(38)35-26(23-9-6-18-39-23)25(28(36)21-7-4-3-5-8-21)24(20-10-12-22(31)13-11-20)27(35)29(37)34-16-14-32-15-17-34/h3-13,18-19,24-27,32H,14-17H2,1-2H3,(H,33,38)