4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-phenethyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-phenethyl-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)C(=N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)C(=N3)N

InChI

InChI=1S/C27H23N5O3/c28-24-23-19-8-4-5-9-20(19)32(13-12-17-6-2-1-3-7-17)26(23)31-25(30-24)27(33)29-15-18-10-11-21-22(14-18)35-16-34-21/h1-11,14H,12-13,15-16H2,(H,29,33)(H2,28,30,31)