ethyl 5-azanyl-1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CCCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CCCCC3)N

InChI

InChI=1S/C21H26N4O3/c1-2-28-21(27)18-14-24-25(19(18)22)17-10-8-16(9-11-17)20(26)23-13-12-15-6-4-3-5-7-15/h6,8-11,14H,2-5,7,12-13,22H2,1H3,(H,23,26)