4-carbamimidoyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]benzamide Openeye Name: 4-carbamimidoyl-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]benzamide CAS Name: 4-carbamimidoyl-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]benzamide IUPAC Name: 4-carbamimidoyl-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]benzamide Traditional Name: 4-amidino-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]benzamide Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H17N5O2/c23-20(24)13-8-10-14(11-9-13)21(28)25-16-5-3-4-15(12-16)19-17-6-1-2-7-18(17)22(29)27-26-19/h1-12H,(H3,23,24)(H,25,28)(H,27,29)