4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole-6-carboxamide

Systemtic Name: 4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole-6-carboxamide Openeye Name: 4-(4-benzyl-4-hydroxy-1-piperidyl)-9H-pyrimido[4,5-b]indole-6-carboxamide CAS Name: 4-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-9H-pyrimido[4,5-b]indole-6-carboxamide IUPAC Name: 4-(4-benzyl-4-hydroxypiperidin-1-yl)-9H-pyrimido[4,5-b]indole-6-carboxamide Traditional Name: 4-(4-benzyl-4-hydroxy-piperidino)-9H-pyrimid[4,5-b]indole-6-carboxamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)C3=NC=NC4=C3C5=C(N4)C=CC(=C5)C(=O)N

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)C3=NC=NC4=C3C5=C(N4)C=CC(=C5)C(=O)N

InChI

InChI=1S/C23H23N5O2/c24-20(29)16-6-7-18-17(12-16)19-21(27-18)25-14-26-22(19)28-10-8-23(30,9-11-28)13-15-4-2-1-3-5-15/h1-7,12,14,30H,8-11,13H2,(H2,24,29)(H,25,26,27)