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

Systemtic Name: 2-[4-(4-cyclopropylcarbonylpiperazin-1-yl)-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethyl-5-(m-tolylmethyl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-6-ethyl-5-[(3-methylphenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-[4-(cyclopropanecarbonyl)piperazino]-6-ethyl-5-(3-methylbenzyl)pyrimidin-2-yl]acetonitrile Formula: C24H29N5O MolecularWeight: 403.51996

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O/c1-3-21-20(16-18-6-4-5-17(2)15-18)23(27-22(26-21)9-10-25)28-11-13-29(14-12-28)24(30)19-7-8-19/h4-6,15,19H,3,7-9,11-14,16H2,1-2H3