2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloranylquinolin-4-yl)amino]phenol

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloranylquinolin-4-yl)amino]phenol Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloro-4-quinolyl)amino]phenol CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloro-4-quinolinyl)amino]phenol IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloroquinolin-4-yl)amino]phenol Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-[(7-chloro-4-quinolyl)amino]phenol Formula: C20H20Cl3N3O MolecularWeight: 424.7513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl)O

InChI

InChI=1S/C20H20Cl3N3O/c21-6-9-26(10-7-22)13-14-11-16(2-4-20(14)27)25-18-5-8-24-19-12-15(23)1-3-17(18)19/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,24,25)