N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide Openeye Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-isopropyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-[[bis(2-cyanoethyl)amino]-oxomethyl]phenyl]-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide IUPAC Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide Traditional Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-isopropyl-5-keto-pyrrolidine-3-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H25N5O3/c1-15(2)26-14-17(13-19(26)27)20(28)24-18-7-5-16(6-8-18)21(29)25(11-3-9-22)12-4-10-23/h5-8,15,17H,3-4,11-14H2,1-2H3,(H,24,28)