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

Systemtic Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-fluoranyl-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]-2-fluoro-phenyl]methyl]hexahydropyrimidin-2-yl]phenol CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-fluorophenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-fluorophenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[1,3-bis[4-[bis(2-chloroethyl)amino]-2-fluoro-benzyl]hexahydropyrimidin-2-yl]phenol Formula: C35H42Cl4F2N4O MolecularWeight: 714.542986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H42Cl4F2N4O/c1-2-5-26-6-3-7-31(34(26)46)35-44(24-27-8-10-29(22-32(27)40)42(18-12-36)19-13-37)16-4-17-45(35)25-28-9-11-30(23-33(28)41)43(20-14-38)21-15-39/h2-3,6-11,22-23,35,46H,1,4-5,12-21,24-25H2