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

Systemtic Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-5-(m-tolylmethyl)-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-ethyl-5-(3-methylbenzyl)-6-(4-propionylpiperazino)pyrimidin-2-yl]acetonitrile Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)CC)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)CC)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H29N5O/c1-4-20-19(16-18-8-6-7-17(3)15-18)23(26-21(25-20)9-10-24)28-13-11-27(12-14-28)22(29)5-2/h6-8,15H,4-5,9,11-14,16H2,1-3H3