N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloranyl-quinolin-4-amine hydrochloride

Systemtic Name: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloranyl-quinolin-4-amine hydrochloride Openeye Name: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloro-quinolin-4-amine hydrochloride CAS Name: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloro-4-quinolinamine hydrochloride IUPAC Name: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloroquinolin-4-amine hydrochloride Traditional Name: bis(2-chloroethyl)-[4-[2-[(7-chloro-4-quinolyl)amino]ethyl]phenyl]amine hydrochloride Formula: C21H23Cl4N3 MolecularWeight: 459.23942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C3C=CC(=CC3=NC=C2)Cl)N(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C3C=CC(=CC3=NC=C2)Cl)N(CCCl)CCCl.Cl

InChI

InChI=1S/C21H22Cl3N3.ClH/c22-9-13-27(14-10-23)18-4-1-16(2-5-18)7-11-25-20-8-12-26-21-15-17(24)3-6-19(20)21;/h1-6,8,12,15H,7,9-11,13-14H2,(H,25,26);1H