1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(3-oxidanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(3-oxidanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(3-hydroxypropyl)pyrazole-4-carboxamide CAS Name: 1-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]-N-(3-hydroxypropyl)-4-pyrazolecarboxamide IUPAC Name: 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(3-hydroxypropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-[(2-aminophenyl)carbamoyl]benzyl]-N-(3-hydroxypropyl)pyrazole-4-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)C(=O)NCCCO

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)C(=O)NCCCO

InChI

InChI=1S/C21H23N5O3/c22-18-4-1-2-5-19(18)25-21(29)16-8-6-15(7-9-16)13-26-14-17(12-24-26)20(28)23-10-3-11-27/h1-2,4-9,12,14,27H,3,10-11,13,22H2,(H,23,28)(H,25,29)