5-[4-(diphenylmethyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-8-nitro-isoquinoline CAS Name: 5-[4-(diphenylmethyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-8-nitroisoquinoline Traditional Name: 5-(4-benzhydrylpiperazino)-8-nitro-isoquinoline Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2/c31-30(32)25-12-11-24(22-13-14-27-19-23(22)25)28-15-17-29(18-16-28)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,26H,15-18H2