ethyl 5-azanyl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(4-phenylbutan-2-ylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)N

InChI

InChI=1S/C23H26N4O3/c1-3-30-23(29)20-15-25-27(21(20)24)19-13-11-18(12-14-19)22(28)26-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-16H,3,9-10,24H2,1-2H3,(H,26,28)