1-isoquinolin-3-ylcycloheptane-1,2-diamine

Systemtic Name: 1-isoquinolin-3-ylcycloheptane-1,2-diamine Openeye Name: 1-(3-isoquinolyl)cycloheptane-1,2-diamine CAS Name: 1-(3-isoquinolinyl)cycloheptane-1,2-diamine IUPAC Name: 1-isoquinolin-3-ylcycloheptane-1,2-diamine Traditional Name: [2-amino-1-(3-isoquinolyl)cycloheptyl]amine Formula: C16H21N3 MolecularWeight: 255.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)(C2=CC3=CC=CC=C3C=N2)N)N

Isomeric SMILES

C1CCC(C(CC1)(C2=CC3=CC=CC=C3C=N2)N)N

InChI

InChI=1S/C16H21N3/c17-14-8-2-1-5-9-16(14,18)15-10-12-6-3-4-7-13(12)11-19-15/h3-4,6-7,10-11,14H,1-2,5,8-9,17-18H2