N1-(7-chloranylquinolin-4-yl)-N4,N4-bis(2-chloroethyl)-N1-ethyl-benzene-1,4-diamine

Systemtic Name: N1-(7-chloranylquinolin-4-yl)-N4,N4-bis(2-chloroethyl)-N1-ethyl-benzene-1,4-diamine Openeye Name: N4,N4-bis(2-chloroethyl)-N1-(7-chloro-4-quinolyl)-N1-ethyl-benzene-1,4-diamine CAS Name: N4,N4-bis(2-chloroethyl)-N1-(7-chloro-4-quinolinyl)-N1-ethylbenzene-1,4-diamine IUPAC Name: 4-N,4-N-bis(2-chloroethyl)-1-N-(7-chloroquinolin-4-yl)-1-N-ethylbenzene-1,4-diamine Traditional Name: bis(2-chloroethyl)-[4-[(7-chloro-4-quinolyl)-ethyl-amino]phenyl]amine Formula: C21H22Cl3N3 MolecularWeight: 422.77848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)N(CCCl)CCCl)C2=C3C=CC(=CC3=NC=C2)Cl

Isomeric SMILES

CCN(C1=CC=C(C=C1)N(CCCl)CCCl)C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C21H22Cl3N3/c1-2-27(21-9-12-25-20-15-16(24)3-8-19(20)21)18-6-4-17(5-7-18)26(13-10-22)14-11-23/h3-9,12,15H,2,10-11,13-14H2,1H3