N-(2-azanylethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C30H42N4O2/c1-23-12-14-26(15-13-23)30(36)34-22-27(20-28(34)29(35)32-18-17-31)33(21-25-10-6-3-7-11-25)19-16-24-8-4-2-5-9-24/h2,4-5,8-9,12-15,25,27-28H,3,6-7,10-11,16-22,31H2,1H3,(H,32,35)