tert-butyl 6-[[3-(pyridin-2-ylcarbonylamino)-1-adamantyl]carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 6-[[3-(pyridin-2-ylcarbonylamino)-1-adamantyl]carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 6-[[3-(pyridine-2-carbonylamino)-1-adamantyl]carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 6-[oxo-[[3-[[oxo(2-pyridinyl)methyl]amino]-1-adamantyl]amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[3-(pyridine-2-carbonylamino)-1-adamantyl]carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 6-[(3-picolinamido-1-adamantyl)carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)(C4)NC(=O)C6=CC=CC=N6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)(C4)NC(=O)C6=CC=CC=N6

InChI

InChI=1S/C31H38N4O4/c1-29(2,3)39-28(38)35-12-6-7-22-14-23(9-10-25(22)35)26(36)33-30-15-20-13-21(16-30)18-31(17-20,19-30)34-27(37)24-8-4-5-11-32-24/h4-5,8-11,14,20-21H,6-7,12-13,15-19H2,1-3H3,(H,33,36)(H,34,37)