7-bromanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-cyclopropyl-8-(3-piperidin-1-ylpropoxy)pyridazino[4,5-b]indol-1-amine

Systemtic Name: 7-bromanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-cyclopropyl-8-(3-piperidin-1-ylpropoxy)pyridazino[4,5-b]indol-1-amine Openeye Name: 7-bromo-N-(3-chloro-4-fluoro-phenyl)-5-cyclopropyl-8-[3-(1-piperidyl)propoxy]pyridazino[4,5-b]indol-1-amine CAS Name: 7-bromo-N-(3-chloro-4-fluorophenyl)-5-cyclopropyl-8-[3-(1-piperidinyl)propoxy]-1-pyridazino[4,5-b]indolamine IUPAC Name: 7-bromo-N-(3-chloro-4-fluorophenyl)-5-cyclopropyl-8-(3-piperidin-1-ylpropoxy)pyridazino[4,5-b]indol-1-amine Traditional Name: [7-bromo-5-cyclopropyl-8-(3-piperidinopropoxy)pyridazin[4,5-b]indol-1-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C27H28BrClFN5O MolecularWeight: 572.899523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C=C3C(=C2)C4=C(N=NC=C4N3C5CC5)NC6=CC(=C(C=C6)F)Cl)Br

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C=C3C(=C2)C4=C(N=NC=C4N3C5CC5)NC6=CC(=C(C=C6)F)Cl)Br

InChI

InChI=1S/C27H28BrClFN5O/c28-20-15-23-19(14-25(20)36-12-4-11-34-9-2-1-3-10-34)26-24(35(23)18-6-7-18)16-31-33-27(26)32-17-5-8-22(30)21(29)13-17/h5,8,13-16,18H,1-4,6-7,9-12H2,(H,32,33)