N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[2-morpholin-4-ylethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[2-morpholin-4-ylethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[benzyl(2-morpholinoethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[2-(4-morpholinyl)ethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[benzyl(2-morpholinoethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O3/c1-22-7-9-24(10-8-22)28(35)33-21-25(19-26(33)27(34)30-12-11-29)32(20-23-5-3-2-4-6-23)14-13-31-15-17-36-18-16-31/h2-10,25-26H,11-21,29H2,1H3,(H,30,34)