2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enyl-phenol

Systemtic Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]phenol CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[1,3-bis[4-[bis(2-chloroethyl)amino]benzyl]hexahydropyrimidin-2-yl]phenol Formula: C35H44Cl4N4O MolecularWeight: 678.56206

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1O)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C=CCC1=CC=CC(=C1O)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C35H44Cl4N4O/c1-2-5-30-6-3-7-33(34(30)44)35-42(26-28-8-12-31(13-9-28)40(22-16-36)23-17-37)20-4-21-43(35)27-29-10-14-32(15-11-29)41(24-18-38)25-19-39/h2-3,6-15,35,44H,1,4-5,16-27H2