3-(4-isocyanophenyl)-5-(piperidin-4-ylmethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(4-isocyanophenyl)-5-(piperidin-4-ylmethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(4-isocyanophenyl)-5-(4-piperidylmethyl)-4,5-dihydroisoxazole CAS Name: 3-(4-isocyanophenyl)-5-(4-piperidinylmethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(4-isocyanophenyl)-5-(piperidin-4-ylmethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(4-isocyanophenyl)-5-(4-piperidylmethyl)-2-isoxazoline Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CC3CCNCC3

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CC3CCNCC3

InChI

InChI=1S/C16H19N3O/c1-17-14-4-2-13(3-5-14)16-11-15(20-19-16)10-12-6-8-18-9-7-12/h2-5,12,15,18H,6-11H2