ethyl 5-azanyl-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[[4-(dimethylamino)benzyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)N

InChI

InChI=1S/C22H25N5O3/c1-4-30-22(29)19-14-25-27(20(19)23)18-11-7-16(8-12-18)21(28)24-13-15-5-9-17(10-6-15)26(2)3/h5-12,14H,4,13,23H2,1-3H3,(H,24,28)