6-(azepan-1-yl)-N-[4-chloranyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine

Systemtic Name: 6-(azepan-1-yl)-N-[4-chloranyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine Openeye Name: 6-(azepan-1-yl)-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine CAS Name: 6-(1-azepanyl)-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-1-isoquinolinamine IUPAC Name: 6-(azepan-1-yl)-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine Traditional Name: [6-(azepan-1-yl)-1-isoquinolyl]-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]amine Formula: C30H28ClN5 MolecularWeight: 494.02982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC3=C(C=C2)C(=NC=C3)NC4=CC(=C(C=C4)Cl)C5=NC=C(N5)C6=CC=CC=C6

Isomeric SMILES

C1CCCN(CC1)C2=CC3=C(C=C2)C(=NC=C3)NC4=CC(=C(C=C4)Cl)C5=NC=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C30H28ClN5/c31-27-13-10-23(19-26(27)30-33-20-28(35-30)21-8-4-3-5-9-21)34-29-25-12-11-24(18-22(25)14-15-32-29)36-16-6-1-2-7-17-36/h3-5,8-15,18-20H,1-2,6-7,16-17H2,(H,32,34)(H,33,35)