2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)ethanenitrile

Systemtic Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)ethanenitrile Openeye Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile CAS Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile IUPAC Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile Traditional Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano-(2-methoxyphenyl)methyl]hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile Formula: C32H35Cl2N5O2 MolecularWeight: 592.5586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=CC=C(C=C3)N(CCCl)CCCl)C(C#N)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=CC=C(C=C3)N(CCCl)CCCl)C(C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C32H35Cl2N5O2/c1-40-30-10-5-3-8-26(30)28(22-35)38-18-7-19-39(29(23-36)27-9-4-6-11-31(27)41-2)32(38)24-12-14-25(15-13-24)37(20-16-33)21-17-34/h3-6,8-15,28-29,32H,7,16-21H2,1-2H3