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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-butyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-butyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-butylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-butyl-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O3/c1-2-3-10-28-16-7-5-4-6-15(16)19-20(24)26-21(27-22(19)28)23(29)25-12-14-8-9-17-18(11-14)31-13-30-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,25,29)(H2,24,26,27)