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

Systemtic Name: N-[3-(cyclopropylcarbonylamino)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(cyclopropanecarbonylamino)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(cyclopropanecarbonylamino)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[3-(cyclopropanecarbonylamino)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c31-24(18-13-14-18)27-19-9-6-10-20(15-19)28-25(32)23-21-11-4-5-12-22(21)26(33)30(29-23)16-17-7-2-1-3-8-17/h1-12,15,18H,13-14,16H2,(H,27,31)(H,28,32)