5-azanyl-4-chloranyl-2-phenyl-pyridazin-3-one; but-3-yn-2-yl N-(3-chlorophenyl)carbamate

Systemtic Name: 5-azanyl-4-chloranyl-2-phenyl-pyridazin-3-one; but-3-yn-2-yl N-(3-chlorophenyl)carbamate Openeye Name: 5-amino-4-chloro-2-phenyl-pyridazin-3-one; 1-methylprop-2-ynyl N-(3-chlorophenyl)carbamate CAS Name: 5-amino-4-chloro-2-phenyl-3-pyridazinone; N-(3-chlorophenyl)carbamic acid but-3-yn-2-yl ester IUPAC Name: 5-amino-4-chloro-2-phenylpyridazin-3-one; but-3-yn-2-yl N-(3-chlorophenyl)carbamate Traditional Name: 5-amino-4-chloro-2-phenyl-pyridazin-3-one; N-(3-chlorophenyl)carbamic acid 1-methylprop-2-ynyl ester Formula: C21H18Cl2N4O3 MolecularWeight: 445.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl.C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl

Isomeric SMILES

CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl.C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl

InChI

InChI=1S/C11H10ClNO2.C10H8ClN3O/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10;11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1,4-8H,2H3,(H,13,14);1-6H,12H2