4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline

Systemtic Name: 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline Openeye Name: 4-[1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline CAS Name: 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline IUPAC Name: 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline Traditional Name: [4-[1,3-bis(p-anisyl)hexahydropyrimidin-2-yl]-3-methyl-phenyl]-bis(2-chloroethyl)amine Formula: C31H39Cl2N3O2 MolecularWeight: 556.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C31H39Cl2N3O2/c1-24-21-27(34(19-15-32)20-16-33)9-14-30(24)31-35(22-25-5-10-28(37-2)11-6-25)17-4-18-36(31)23-26-7-12-29(38-3)13-8-26/h5-14,21,31H,4,15-20,22-23H2,1-3H3