tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxo-chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[8-(4-methyl-1-piperazinyl)-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-keto-8-(4-methylpiperazino)chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H37N5O5 MolecularWeight: 547.64528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(O3)C(=CC=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(O3)C(=CC=C4)N5CCN(CC5)C

InChI

InChI=1S/C30H37N5O5/c1-30(2,3)40-29(38)35-18-16-33(17-19-35)22-10-8-21(9-11-22)31-28(37)26-20-25(36)23-6-5-7-24(27(23)39-26)34-14-12-32(4)13-15-34/h5-11,20H,12-19H2,1-4H3,(H,31,37)