[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-[(3-amino-3-keto-propyl)-benzyl-amino]-2-keto-ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O5/c1-2-3-12-25-19(27)10-9-17(23-25)21(29)30-15-20(28)24(13-11-18(22)26)14-16-7-5-4-6-8-16/h4-10H,2-3,11-15H2,1H3,(H2,22,26)