N-[azanyl-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]methylidene]-3-carbamimidoyl-benzamide

Systemtic Name: N-[azanyl-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]methylidene]-3-carbamimidoyl-benzamide Openeye Name: N-[amino-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]methylene]-3-carbamimidoyl-benzamide CAS Name: N-[amino-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]methylidene]-3-carbamimidoylbenzamide IUPAC Name: N-[amino-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]methylidene]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[amino-[3-(4-chlorophenyl)-4-phenyl-2-pyrazolin-1-yl]methylene]benzamide Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=NC(=O)C2=CC=CC(=C2)C(=N)N)N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=NN1C(=NC(=O)C2=CC=CC(=C2)C(=N)N)N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN6O/c25-19-11-9-16(10-12-19)21-20(15-5-2-1-3-6-15)14-31(30-21)24(28)29-23(32)18-8-4-7-17(13-18)22(26)27/h1-13,20H,14H2,(H3,26,27)(H2,28,29,32)