[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone

Systemtic Name: [4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone Openeye Name: [4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-(6-pyrrol-1-yl-3-pyridyl)methanone CAS Name: [4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-[6-(1-pyrrolyl)-3-pyridinyl]methanone IUPAC Name: [4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone Traditional Name: [4-(4-bromophenyl)-4-hydroxy-piperidino]-(6-pyrrol-1-yl-3-pyridyl)methanone Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C3=CN=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C3=CN=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H20BrN3O2/c22-18-6-4-17(5-7-18)21(27)9-13-25(14-10-21)20(26)16-3-8-19(23-15-16)24-11-1-2-12-24/h1-8,11-12,15,27H,9-10,13-14H2