N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

Isomeric SMILES

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

InChI

InChI=1S/C27H37N5O3/c1-27(2,3)17-24(33)31(15-11-20-8-5-4-6-9-20)22-16-23(25(34)30-14-12-28)32(19-22)26(35)21-10-7-13-29-18-21/h4-10,13,18,22-23H,11-12,14-17,19,28H2,1-3H3,(H,30,34)