tert-butyl 3-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylate Openeye Name: tert-butyl 3-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylate CAS Name: 3-[[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]azepane-1-carboxylate Traditional Name: 3-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylic acid tert-butyl ester Formula: C25H34ClN5O3 MolecularWeight: 488.02216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C25H34ClN5O3/c1-25(2,3)34-24(33)31-11-5-4-6-19(17-31)28-23(32)30-14-12-29(13-15-30)22-9-10-27-21-16-18(26)7-8-20(21)22/h7-10,16,19H,4-6,11-15,17H2,1-3H3,(H,28,32)