ethyl N-[3-[[3-[4-[5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[[3-[4-[5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]phenyl]carbamate Openeye Name: ethyl N-[3-[[3-[4-[5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-oxo-pyridazin-1-yl]methyl]phenyl]carbamate CAS Name: N-[3-[[3-[4-[5-[(4-methyl-1-piperazinyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-oxo-1-pyridazinyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[3-[4-[5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate Traditional Name: N-[3-[[6-keto-3-[4-[5-[(4-methylpiperazino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridazin-1-yl]methyl]phenyl]carbamic acid ethyl ester Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C4=NOC(=N4)CN5CCN(CC5)C

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C4=NOC(=N4)CN5CCN(CC5)C

InChI

InChI=1S/C28H31N7O4/c1-3-38-28(37)29-23-6-4-5-20(17-23)18-35-26(36)12-11-24(31-35)21-7-9-22(10-8-21)27-30-25(39-32-27)19-34-15-13-33(2)14-16-34/h4-12,17H,3,13-16,18-19H2,1-2H3,(H,29,37)