N-[[4-(aminomethyl)phenyl]methyl]-1-(5-bromanyl-1H-indol-3-yl)isoquinoline-3-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(5-bromanyl-1H-indol-3-yl)isoquinoline-3-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(5-bromo-1H-indol-3-yl)isoquinoline-3-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(5-bromo-1H-indol-3-yl)-3-isoquinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(5-bromo-1H-indol-3-yl)isoquinoline-3-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-1-(5-bromo-1H-indol-3-yl)isoquinoline-3-carboxamide Formula: C26H21BrN4O MolecularWeight: 485.37514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C26H21BrN4O/c27-19-9-10-23-21(12-19)22(15-29-23)25-20-4-2-1-3-18(20)11-24(31-25)26(32)30-14-17-7-5-16(13-28)6-8-17/h1-12,15,29H,13-14,28H2,(H,30,32)