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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4

InChI

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