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

Systemtic Name: 3-(2-bromanylethynyl)-4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole Openeye Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole CAS Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole IUPAC Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole Traditional Name: 3-(2-bromoethynyl)-4-(methoxymethyl)-5-phenoxy-9H-$b-carboline Formula: C21H15BrN2O2 MolecularWeight: 407.26

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C#CBr)NC3=C2C(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COCC1=C2C(=CN=C1C#CBr)NC3=C2C(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H15BrN2O2/c1-25-13-15-16(10-11-22)23-12-18-20(15)21-17(24-18)8-5-9-19(21)26-14-6-3-2-4-7-14/h2-9,12,24H,13H2,1H3