azepan-1-yl-[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]methanone CAS Name: 1-azepanyl-[1-(3-chloro-4-methylanilino)-4-isoquinolinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]methanone Formula: C23H24ClN3O MolecularWeight: 393.90916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H24ClN3O/c1-16-10-11-17(14-21(16)24)26-22-19-9-5-4-8-18(19)20(15-25-22)23(28)27-12-6-2-3-7-13-27/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,25,26)