methyl 2-(4-cyanophenyl)-4-methyl-1-[(3-methylphenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-4-methyl-1-[(3-methylphenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-4-methyl-1-(m-tolylcarbamoyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-4-methyl-1-[(3-methylanilino)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-4-methyl-1-[(3-methylphenyl)carbamoyl]-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-4-methyl-1-(m-tolylcarbamoyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(C1C(=O)N2CCNCC2)C(=O)NC3=CC=CC(=C3)C)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1C(C(N(C1C(=O)N2CCNCC2)C(=O)NC3=CC=CC(=C3)C)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C27H31N5O4/c1-17-5-4-6-21(15-17)30-27(35)32-23(25(33)31-13-11-29-12-14-31)18(2)22(26(34)36-3)24(32)20-9-7-19(16-28)8-10-20/h4-10,15,18,22-24,29H,11-14H2,1-3H3,(H,30,35)