2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperazino]isonicotinonitrile Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)C3=NC=CC(=C3)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)C3=NC=CC(=C3)C#N)O

InChI

InChI=1S/C21H26N4O/c1-15(2)19-12-18(20(26)10-16(19)3)14-24-6-8-25(9-7-24)21-11-17(13-22)4-5-23-21/h4-5,10-12,15,26H,6-9,14H2,1-3H3