N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-7-chloranyl-quinolin-4-amine

Systemtic Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-7-chloranyl-quinolin-4-amine Openeye Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-7-chloro-quinolin-4-amine CAS Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-7-chloro-4-quinolinamine IUPAC Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-7-chloroquinolin-4-amine Traditional Name: bis(2-chloroethyl)-[5-[(7-chloro-4-quinolyl)amino]-2-methoxy-benzyl]amine Formula: C21H22Cl3N3O MolecularWeight: 438.77788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl

InChI

InChI=1S/C21H22Cl3N3O/c1-28-21-5-3-17(12-15(21)14-27(10-7-22)11-8-23)26-19-6-9-25-20-13-16(24)2-4-18(19)20/h2-6,9,12-13H,7-8,10-11,14H2,1H3,(H,25,26)