N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(4-methoxyphenyl)-N-piperonyl-9H-$b-carboline-3-carboxamide Formula: C27H21N3O4 MolecularWeight: 451.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N3

InChI

InChI=1S/C27H21N3O4/c1-32-18-9-7-17(8-10-18)25-26-20(19-4-2-3-5-21(19)29-26)13-22(30-25)27(31)28-14-16-6-11-23-24(12-16)34-15-33-23/h2-13,29H,14-15H2,1H3,(H,28,31)