[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(2-phenoxypyridin-3-yl)methanone

Systemtic Name: [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(4-tert-butylbenzyl)piperazino]-(2-phenoxy-3-pyridyl)methanone Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)22-13-11-21(12-14-22)20-29-16-18-30(19-17-29)26(31)24-10-7-15-28-25(24)32-23-8-5-4-6-9-23/h4-15H,16-20H2,1-3H3