azepan-1-yl-[1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-methoxyanilino)-4-isoquinolyl]methanone CAS Name: 1-azepanyl-[1-(2-methoxyanilino)-4-isoquinolinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(o-anisidino)-4-isoquinolyl]methanone Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O2/c1-28-21-13-7-6-12-20(21)25-22-18-11-5-4-10-17(18)19(16-24-22)23(27)26-14-8-2-3-9-15-26/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3,(H,24,25)