methyl 4-[[[1-[4-(heptoxymethyl)phenyl]pyrazol-4-yl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[1-[4-(heptoxymethyl)phenyl]pyrazol-4-yl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[1-[4-(heptoxymethyl)phenyl]pyrazole-4-carbonyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[1-[4-(heptoxymethyl)phenyl]-4-pyrazolyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-[4-(heptoxymethyl)phenyl]pyrazole-4-carbonyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[1-[4-(heptoxymethyl)phenyl]pyrazole-4-carbonyl]amino]carbamoyl]benzoic acid methyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CC=C(C=C1)N2C=C(C=N2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCOCC1=CC=C(C=C1)N2C=C(C=N2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H32N4O5/c1-3-4-5-6-7-16-36-19-20-8-14-24(15-9-20)31-18-23(17-28-31)26(33)30-29-25(32)21-10-12-22(13-11-21)27(34)35-2/h8-15,17-18H,3-7,16,19H2,1-2H3,(H,29,32)(H,30,33)