3-(2-bromanylethynyl)-4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole

Systemtic Name: 3-(2-bromanylethynyl)-4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole Openeye Name: 5-benzyloxy-3-(2-bromoethynyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole CAS Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole IUPAC Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole Traditional Name: 5-benzoxy-3-(2-bromoethynyl)-4-(methoxymethyl)-9H-$b-carboline Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C#CBr)NC3=C2C(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COCC1=C2C(=CN=C1C#CBr)NC3=C2C(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H17BrN2O2/c1-26-14-16-17(10-11-23)24-12-19-21(16)22-18(25-19)8-5-9-20(22)27-13-15-6-3-2-4-7-15/h2-9,12,25H,13-14H2,1H3