[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-yl-4-piperidyl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-(2-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[1-(2-pyrimidyl)-4-piperidyl]methanone Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O/c1-17-4-5-18(2)20(16-17)25-12-14-26(15-13-25)21(28)19-6-10-27(11-7-19)22-23-8-3-9-24-22/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3