3-naphthalen-1-yl-2-(phenylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate

Systemtic Name: 3-naphthalen-1-yl-2-(phenylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate Openeye Name: 2-benzyl-3-(1-naphthyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate CAS Name: 3-(1-naphthalenyl)-2-(phenylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate IUPAC Name: 2-benzyl-3-naphthalen-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate Traditional Name: 2-benzyl-3-(1-naphthyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olate Formula: C27H22N3O- MolecularWeight: 404.48308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C(=NN3C(=C2C1)[O-])CC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC2=NC3=C(C(=NN3C(=C2C1)[O-])CC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H23N3O/c31-27-22-14-6-7-16-23(22)28-26-25(21-15-8-12-19-11-4-5-13-20(19)21)24(29-30(26)27)17-18-9-2-1-3-10-18/h1-5,8-13,15,31H,6-7,14,16-17H2/p-1