3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]phenyl]carbonylamino]pentyl]benzamide

Systemtic Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]phenyl]carbonylamino]pentyl]benzamide Openeye Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoyl]amino]pentyl]benzamide CAS Name: 3-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]-N-[5-[[[3-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]phenyl]-oxomethyl]amino]pentyl]benzamide IUPAC Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoyl]amino]pentyl]benzamide Traditional Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoyl]amino]pentyl]benzamide Formula: C47H58Cl4N6O4 MolecularWeight: 912.81322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)NCCCCCNC(=O)C3=CC(=CC=C3)NC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)NCCCCCNC(=O)C3=CC(=CC=C3)NC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C47H58Cl4N6O4/c48-24-30-56(31-25-49)42-20-16-36(17-21-42)8-4-14-44(58)54-40-12-6-10-38(34-40)46(60)52-28-2-1-3-29-53-47(61)39-11-7-13-41(35-39)55-45(59)15-5-9-37-18-22-43(23-19-37)57(32-26-50)33-27-51/h6-7,10-13,16-23,34-35H,1-5,8-9,14-15,24-33H2,(H,52,60)(H,53,61)(H,54,58)(H,55,59)