4-oxidanylidene-3-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]phthalazine-1-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-3-phenyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]phthalazine-1-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O3/c1-2-16-26-25(33)28-18-14-12-17(13-15-18)27-23(31)22-20-10-6-7-11-21(20)24(32)30(29-22)19-8-4-3-5-9-19/h2-15H,1,16H2,(H,27,31)(H2,26,28,33)