2-[5-[(3-chlorophenyl)methyl]-4-(4-cyclopropylcarbonylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[5-[(3-chlorophenyl)methyl]-4-(4-cyclopropylcarbonylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]acetonitrile CAS Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-6-ethyl-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]acetonitrile Traditional Name: 2-[5-(3-chlorobenzyl)-4-[4-(cyclopropanecarbonyl)piperazino]-6-ethyl-pyrimidin-2-yl]acetonitrile Formula: C23H26ClN5O MolecularWeight: 423.93844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5O/c1-2-20-19(15-16-4-3-5-18(24)14-16)22(27-21(26-20)8-9-25)28-10-12-29(13-11-28)23(30)17-6-7-17/h3-5,14,17H,2,6-8,10-13,15H2,1H3