1-[1-(2-bromanyl-4-propan-2-yl-phenyl)-3,6-dimethyl-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile

Systemtic Name: 1-[1-(2-bromanyl-4-propan-2-yl-phenyl)-3,6-dimethyl-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile Openeye Name: 1-[1-(2-bromo-4-isopropyl-phenyl)-3,6-dimethyl-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile CAS Name: 1-[1-(2-bromo-4-propan-2-ylphenyl)-3,6-dimethyl-4-pyrrolo[2,3-b]pyridinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[1-(2-bromo-4-propan-2-ylphenyl)-3,6-dimethylpyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile Traditional Name: 1-[1-(2-bromo-4-isopropyl-phenyl)-3,6-dimethyl-pyrrolo[2,3-b]pyridin-4-yl]isonipecotonitrile Formula: C24H27BrN4 MolecularWeight: 451.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CN2C3=C(C=C(C=C3)C(C)C)Br)C)C(=C1)N4CCC(CC4)C#N

Isomeric SMILES

CC1=NC2=C(C(=CN2C3=C(C=C(C=C3)C(C)C)Br)C)C(=C1)N4CCC(CC4)C#N

InChI

InChI=1S/C24H27BrN4/c1-15(2)19-5-6-21(20(25)12-19)29-14-16(3)23-22(11-17(4)27-24(23)29)28-9-7-18(13-26)8-10-28/h5-6,11-12,14-15,18H,7-10H2,1-4H3