methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoranyl-2-phenyl-quinolin-4-yl]carbonylamino]-N-phenyl-carbamate

Systemtic Name: methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoranyl-2-phenyl-quinolin-4-yl]carbonylamino]-N-phenyl-carbamate Openeye Name: methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenyl-quinoline-4-carbonyl]amino]-N-phenyl-carbamate CAS Name: N-[[[3-[(4-tert-butyl-1-piperazinyl)methyl]-8-fluoro-2-phenyl-4-quinolinyl]-oxomethyl]amino]-N-phenylcarbamic acid methyl ester IUPAC Name: methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate Traditional Name: N-[[3-[(4-tert-butylpiperazino)methyl]-8-fluoro-2-phenyl-quinoline-4-carbonyl]amino]-N-phenyl-carbamic acid methyl ester Formula: C33H36FN5O3 MolecularWeight: 569.669043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)CC2=C(N=C3C(=C2C(=O)NN(C4=CC=CC=C4)C(=O)OC)C=CC=C3F)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1CCN(CC1)CC2=C(N=C3C(=C2C(=O)NN(C4=CC=CC=C4)C(=O)OC)C=CC=C3F)C5=CC=CC=C5

InChI

InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)