4-(aminocarbonylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-(aminocarbonylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]pyrazole-3-carboxamide Openeye Name: 1-[4-[3-(2-cyanoethyl)phenyl]phenyl]-4-ureido-pyrazole-3-carboxamide CAS Name: 4-(carbamoylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-(carbamoylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]pyrazole-3-carboxamide Traditional Name: 1-[4-[3-(2-cyanoethyl)phenyl]phenyl]-4-ureido-pyrazole-3-carboxamide Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCC#N)C2=CC=C(C=C2)N3C=C(C(=N3)C(=O)N)NC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CCC#N)C2=CC=C(C=C2)N3C=C(C(=N3)C(=O)N)NC(=O)N

InChI

InChI=1S/C20H18N6O2/c21-10-2-4-13-3-1-5-15(11-13)14-6-8-16(9-7-14)26-12-17(24-20(23)28)18(25-26)19(22)27/h1,3,5-9,11-12H,2,4H2,(H2,22,27)(H3,23,24,28)