N,N-bis(2-chloroethyl)-4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]aniline Openeye Name: N,N-bis(2-chloroethyl)-4-[(6,7-dimethoxy-1-isoquinolyl)methyl]aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(6,7-dimethoxy-1-isoquinolinyl)methyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]aniline Traditional Name: bis(2-chloroethyl)-[4-[(6,7-dimethoxy-1-isoquinolyl)methyl]phenyl]amine Formula: C22H24Cl2N2O2 MolecularWeight: 419.34416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)N(CCCl)CCCl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)N(CCCl)CCCl)OC

InChI

InChI=1S/C22H24Cl2N2O2/c1-27-21-14-17-7-10-25-20(19(17)15-22(21)28-2)13-16-3-5-18(6-4-16)26(11-8-23)12-9-24/h3-7,10,14-15H,8-9,11-13H2,1-2H3