2-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-piperidin-1-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-piperidin-1-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-4-oxo-6-(1-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methyl]-4-oxo-6-(1-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-4-oxo-6-piperidin-1-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(3,4-dichlorobenzyl)-4-keto-6-piperidino-1H-pyrimidine-5-carbonitrile Formula: C17H16Cl2N4O MolecularWeight: 363.24114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N=C(N2)CC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N=C(N2)CC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H16Cl2N4O/c18-13-5-4-11(8-14(13)19)9-15-21-16(12(10-20)17(24)22-15)23-6-2-1-3-7-23/h4-5,8H,1-3,6-7,9H2,(H,21,22,24)