tert-butyl 4-[6-(1,2-dihydroacenaphthylen-5-yl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(1,2-dihydroacenaphthylen-5-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(1,2-dihydroacenaphthylen-5-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-(1,2-dihydroacenaphthylen-5-yl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(1,2-dihydroacenaphthylen-5-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-(6-acenaphthen-5-yl-2-pyridyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=N2)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=N2)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C26H29N3O2/c1-26(2,3)31-25(30)29-16-14-28(15-17-29)23-9-5-8-22(27-23)20-13-12-19-11-10-18-6-4-7-21(20)24(18)19/h4-9,12-13H,10-11,14-17H2,1-3H3