4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethyl-isoquinolin-3-amine

Systemtic Name: 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethyl-isoquinolin-3-amine Openeye Name: 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethyl-isoquinolin-3-amine CAS Name: 4-[4-[4-(2-chloroethyl)-1-piperazinyl]phenyl]-N-ethyl-3-isoquinolinamine IUPAC Name: 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethylisoquinolin-3-amine Traditional Name: [4-[4-[4-(2-chloroethyl)piperazino]phenyl]-3-isoquinolyl]-ethyl-amine Formula: C23H27ClN4 MolecularWeight: 394.94028

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)N4CCN(CC4)CCCl

Isomeric SMILES

CCNC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)N4CCN(CC4)CCCl

InChI

InChI=1S/C23H27ClN4/c1-2-25-23-22(21-6-4-3-5-19(21)17-26-23)18-7-9-20(10-8-18)28-15-13-27(12-11-24)14-16-28/h3-10,17H,2,11-16H2,1H3,(H,25,26)