2-[(5-azanyl-7-oxidanylidene-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[(5-azanyl-7-oxidanylidene-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(5-amino-7-oxo-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(5-amino-7-oxo-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(5-amino-7-oxo-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(5-amino-7-keto-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NC(=NC(=O)NN4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NC(=NC(=O)NN4)N

InChI

InChI=1S/C18H15N7O2/c19-17-20-14(22-23-18(27)21-17)10-25-16(26)13-9-5-4-8-12(13)15(24-25)11-6-2-1-3-7-11/h1-9H,10H2,(H4,19,20,21,22,23,27)