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

Systemtic Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-butyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-butyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-[[bis(2-cyanoethyl)amino]-oxomethyl]phenyl]-1-butyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-[bis(2-cyanoethyl)carbamoyl]phenyl]-1-butyl-5-keto-pyrrolidine-3-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H27N5O3/c1-2-3-12-27-16-18(15-20(27)28)21(29)25-19-8-6-17(7-9-19)22(30)26(13-4-10-23)14-5-11-24/h6-9,18H,2-5,12-16H2,1H3,(H,25,29)