N5-(4-bromanyl-2-methyl-phenyl)isoquinoline-5,8-diamine

Systemtic Name: N5-(4-bromanyl-2-methyl-phenyl)isoquinoline-5,8-diamine Openeye Name: N5-(4-bromo-2-methyl-phenyl)isoquinoline-5,8-diamine CAS Name: N5-(4-bromo-2-methylphenyl)isoquinoline-5,8-diamine IUPAC Name: 5-N-(4-bromo-2-methylphenyl)isoquinoline-5,8-diamine Traditional Name: (8-amino-5-isoquinolyl)-(4-bromo-2-methyl-phenyl)amine Formula: C16H14BrN3 MolecularWeight: 328.20646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C16H14BrN3/c1-10-8-11(17)2-4-15(10)20-16-5-3-14(18)13-9-19-7-6-12(13)16/h2-9,20H,18H2,1H3