methyl N-[[7-bromanyl-3-[(4-tert-butylpiperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl]carbonylamino]-N-phenyl-carbamate

Systemtic Name: methyl N-[[7-bromanyl-3-[(4-tert-butylpiperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl]carbonylamino]-N-phenyl-carbamate Openeye Name: methyl N-[[7-bromo-3-[(4-tert-butylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-N-phenyl-carbamate CAS Name: N-[[[7-bromo-3-[(4-tert-butyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinyl]-oxomethyl]amino]-N-phenylcarbamic acid methyl ester IUPAC Name: methyl N-[[7-bromo-3-[(4-tert-butylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate Traditional Name: N-[[7-bromo-3-[(4-tert-butylpiperazino)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-N-phenyl-carbamic acid methyl ester Formula: C33H36BrN5O3 MolecularWeight: 630.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2C(=O)NN(C4=CC=CC=C4)C(=O)OC)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2C(=O)NN(C4=CC=CC=C4)C(=O)OC)Br)C5=CC=CC=C5

InChI

InChI=1S/C33H36BrN5O3/c1-33(2,3)38-19-17-37(18-20-38)22-27-29(31(40)36-39(32(41)42-4)25-13-9-6-10-14-25)26-16-15-24(34)21-28(26)35-30(27)23-11-7-5-8-12-23/h5-16,21H,17-20,22H2,1-4H3,(H,36,40)