[3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-isopentyloxy-3-methoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-isoamoxy-3-methoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C21H28N4O3/c1-16(2)7-14-28-18-6-5-17(15-19(18)27-3)20(26)24-10-12-25(13-11-24)21-22-8-4-9-23-21/h4-6,8-9,15-16H,7,10-14H2,1-3H3