N',N'-diethyl-N-isoquinolin-1-yl-heptane-1,7-diamine

Systemtic Name: N',N'-diethyl-N-isoquinolin-1-yl-heptane-1,7-diamine Openeye Name: N',N'-diethyl-N-(1-isoquinolyl)heptane-1,7-diamine CAS Name: N',N'-diethyl-N-(1-isoquinolinyl)heptane-1,7-diamine IUPAC Name: N',N'-diethyl-N-isoquinolin-1-ylheptane-1,7-diamine Traditional Name: diethyl-[7-(1-isoquinolylamino)heptyl]amine Formula: C20H31N3 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCCNC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCN(CC)CCCCCCCNC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C20H31N3/c1-3-23(4-2)17-11-7-5-6-10-15-21-20-19-13-9-8-12-18(19)14-16-22-20/h8-9,12-14,16H,3-7,10-11,15,17H2,1-2H3,(H,21,22)