5-(4-chloranylphenoxy)-3-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole

Systemtic Name: 5-(4-chloranylphenoxy)-3-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole Openeye Name: 5-(4-chlorophenoxy)-3-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole CAS Name: 5-(4-chlorophenoxy)-3-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole IUPAC Name: 5-(4-chlorophenoxy)-3-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole Traditional Name: 5-(4-chlorophenoxy)-3-ethynyl-4-(methoxymethyl)-9H-$b-carboline Formula: C21H15ClN2O2 MolecularWeight: 362.809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O2/c1-3-16-15(12-25-2)20-18(11-23-16)24-17-5-4-6-19(21(17)20)26-14-9-7-13(22)8-10-14/h1,4-11,24H,12H2,2H3