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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-cyclohexyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-cyclohexyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-cyclohexyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-cyclohexylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-cyclohexyl-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H25N5O3/c26-22-21-17-8-4-5-9-18(17)30(16-6-2-1-3-7-16)24(21)29-23(28-22)25(31)27-13-15-10-11-19-20(12-15)33-14-32-19/h4-5,8-12,16H,1-3,6-7,13-14H2,(H,27,31)(H2,26,28,29)