ethyl 5-azanyl-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N

InChI

InChI=1S/C18H23N5O3/c1-3-26-18(25)15-12-20-23(16(15)19)14-6-4-13(5-7-14)17(24)22-10-8-21(2)9-11-22/h4-7,12H,3,8-11,19H2,1-2H3