4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanamide CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanamide Traditional Name: N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butyramide Formula: C21H26Cl2N2O MolecularWeight: 393.34994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C21H26Cl2N2O/c22-13-15-25(16-14-23)20-11-9-18(10-12-20)7-4-8-21(26)24-17-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,24,26)