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

Systemtic Name: 6-(azepan-1-yl)-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine Openeye Name: 6-(azepan-1-yl)-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine CAS Name: 6-(1-azepanyl)-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-1-isoquinolinamine IUPAC Name: 6-(azepan-1-yl)-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine Traditional Name: [6-(azepan-1-yl)-1-isoquinolyl]-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]amine Formula: C31H31N5 MolecularWeight: 473.61134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC3=C2C=CC(=C3)N4CCCCCC4)C5=NC=C(N5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC3=C2C=CC(=C3)N4CCCCCC4)C5=NC=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C31H31N5/c1-22-11-12-25(20-28(22)31-33-21-29(35-31)23-9-5-4-6-10-23)34-30-27-14-13-26(19-24(27)15-16-32-30)36-17-7-2-3-8-18-36/h4-6,9-16,19-21H,2-3,7-8,17-18H2,1H3,(H,32,34)(H,33,35)