6-[[1-[(4-bromanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile

Systemtic Name: 6-[[1-[(4-bromanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile Openeye Name: 6-[[1-[(4-bromo-3,5-diethoxy-phenyl)methyl]-4-piperidyl]amino]pyridine-3-carbonitrile CAS Name: 6-[[1-[(4-bromo-3,5-diethoxyphenyl)methyl]-4-piperidinyl]amino]-3-pyridinecarbonitrile IUPAC Name: 6-[[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile Traditional Name: 6-[[1-(4-bromo-3,5-diethoxy-benzyl)-4-piperidyl]amino]nicotinonitrile Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1Br)OCC)CN2CCC(CC2)NC3=NC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1Br)OCC)CN2CCC(CC2)NC3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H27BrN4O2/c1-3-28-19-11-17(12-20(22(19)23)29-4-2)15-27-9-7-18(8-10-27)26-21-6-5-16(13-24)14-25-21/h5-6,11-12,14,18H,3-4,7-10,15H2,1-2H3,(H,25,26)