4-[2-methyl-4-[4-(4-phenylpiperidin-1-yl)butoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one hydrochloride

Systemtic Name: 4-[2-methyl-4-[4-(4-phenylpiperidin-1-yl)butoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one hydrochloride Openeye Name: 4-[2-methyl-4-[4-(4-phenyl-1-piperidyl)butoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one hydrochloride CAS Name: 4-[2-methyl-4-[4-(4-phenyl-1-piperidinyl)butoxy]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone hydrochloride IUPAC Name: 4-[2-methyl-4-[4-(4-phenylpiperidin-1-yl)butoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one hydrochloride Traditional Name: 4-[2-methyl-4-[4-(4-phenylpiperidino)butoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one hydrochloride Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C2C=CC(=O)C=C2)N1)OCCCCN3CCC(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=NC(=CC(=C2C=CC(=O)C=C2)N1)OCCCCN3CCC(CC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H31N3O2.ClH/c1-20-27-25(23-9-11-24(30)12-10-23)19-26(28-20)31-18-6-5-15-29-16-13-22(14-17-29)21-7-3-2-4-8-21;/h2-4,7-12,19,22H,5-6,13-18H2,1H3,(H,27,28);1H