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

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C30H35N5O4 MolecularWeight: 529.63

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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)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H35N5O4/c1-22-7-11-25(12-8-22)30(37)34-21-27(19-28(34)29(36)32-17-16-31)33(18-15-23-5-3-2-4-6-23)20-24-9-13-26(14-10-24)35(38)39/h2-14,27-28H,15-21,31H2,1H3,(H,32,36)