ethyl 5-azanyl-1-[4-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(1,4-dioxan-2-ylmethylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3COCCO3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3COCCO3)N

InChI

InChI=1S/C18H22N4O5/c1-2-26-18(24)15-10-21-22(16(15)19)13-5-3-12(4-6-13)17(23)20-9-14-11-25-7-8-27-14/h3-6,10,14H,2,7-9,11,19H2,1H3,(H,20,23)