N-[4-[1-(4,6-dimethylpyrimidin-2-yl)ethylamino]phenyl]-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-[1-(4,6-dimethylpyrimidin-2-yl)ethylamino]phenyl]-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-[4-[1-(4,6-dimethylpyrimidin-2-yl)ethylamino]phenyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-[4-[1-(4,6-dimethyl-2-pyrimidinyl)ethylamino]phenyl]-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-[4-[1-(4,6-dimethylpyrimidin-2-yl)ethylamino]phenyl]-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: N-[4-[1-(4,6-dimethylpyrimidin-2-yl)ethylamino]phenyl]-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)NC2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)NC2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N5O2/c1-18-15-19(2)29-26(28-18)20(3)30-23-9-11-24(12-10-23)31-27(34)22-16-25(33)32(17-22)14-13-21-7-5-4-6-8-21/h4-12,15,20,22,30H,13-14,16-17H2,1-3H3,(H,31,34)