ethyl N-[3-[[3-[3-(2-azanylethanoylamino)phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[[3-[3-(2-azanylethanoylamino)phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]phenyl]carbamate Openeye Name: ethyl N-[3-[[3-[3-[(2-aminoacetyl)amino]phenyl]-6-oxo-pyridazin-1-yl]methyl]phenyl]carbamate CAS Name: N-[3-[[3-[3-[(2-amino-1-oxoethyl)amino]phenyl]-6-oxo-1-pyridazinyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[3-[3-[(2-aminoacetyl)amino]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate Traditional Name: N-[3-[[3-[3-(glycylamino)phenyl]-6-keto-pyridazin-1-yl]methyl]phenyl]carbamic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)NC(=O)CN

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)NC(=O)CN

InChI

InChI=1S/C22H23N5O4/c1-2-31-22(30)25-17-7-3-5-15(11-17)14-27-21(29)10-9-19(26-27)16-6-4-8-18(12-16)24-20(28)13-23/h3-12H,2,13-14,23H2,1H3,(H,24,28)(H,25,30)