3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyano-2-propenamide IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)-2-cyano-acrylamide Formula: C20H18BrCl2N3O MolecularWeight: 467.18642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)N(CCCl)CCCl

InChI

InChI=1S/C20H18BrCl2N3O/c21-17-3-5-18(6-4-17)25-20(27)16(14-24)13-15-1-7-19(8-2-15)26(11-9-22)12-10-23/h1-8,13H,9-12H2,(H,25,27)