4-[2-(5-bromanyl-2-chloranyl-phenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(5-bromanyl-2-chloranyl-phenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-benzyloxy-2-(5-bromo-2-chloro-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(5-bromo-2-chlorophenyl)-5-phenylmethoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(5-bromo-2-chlorophenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-benzoxy-2-(5-bromo-2-chloro-phenyl)-1H-indol-3-yl]butylamine Formula: C25H24BrClN2O MolecularWeight: 483.82786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C25H24BrClN2O/c26-18-9-11-23(27)22(14-18)25-20(8-4-5-13-28)21-15-19(10-12-24(21)29-25)30-16-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,29H,4-5,8,13,16,28H2