4-oxidanylidene-N-[3-(phenylcarbamoylamino)phenyl]-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(phenylcarbamoylamino)phenyl]-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[3-(phenylcarbamoylamino)phenyl]phthalazine-1-carboxamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[3-(phenylcarbamoylamino)phenyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(phenylcarbamoylamino)phenyl]phthalazine-1-carboxamide Formula: C29H23N5O3 MolecularWeight: 489.52462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=CC=C4)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=CC=C4)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H23N5O3/c35-27(30-22-14-9-15-23(18-22)32-29(37)31-21-12-5-2-6-13-21)26-24-16-7-8-17-25(24)28(36)34(33-26)19-20-10-3-1-4-11-20/h1-18H,19H2,(H,30,35)(H2,31,32,37)