2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-(aminomethyl)cycloheptyl]-4H-isoquinoline-1,3-quinone Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)N2C(=O)CC3=CC=CC=C3C2=O)CN

Isomeric SMILES

C1CCC(C(CC1)N2C(=O)CC3=CC=CC=C3C2=O)CN

InChI

InChI=1S/C17H22N2O2/c18-11-13-7-2-1-3-9-15(13)19-16(20)10-12-6-4-5-8-14(12)17(19)21/h4-6,8,13,15H,1-3,7,9-11,18H2