2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol

Systemtic Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol Openeye Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-4-nitro-phenol CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol Traditional Name: 2-[1,3-bis[4-[bis(2-chloroethyl)amino]benzyl]hexahydropyrimidin-2-yl]-4-nitro-phenol Formula: C32H39Cl4N5O3 MolecularWeight: 683.49576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C32H39Cl4N5O3/c33-12-18-37(19-13-34)27-6-2-25(3-7-27)23-39-16-1-17-40(32(39)30-22-29(41(43)44)10-11-31(30)42)24-26-4-8-28(9-5-26)38(20-14-35)21-15-36/h2-11,22,32,42H,1,12-21,23-24H2