8-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinolin-5-amine

Systemtic Name: 8-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinolin-5-amine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: 8-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-isoquinolinamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: 2-(4-benzylpiperazino)ethyl-(8-nitro-5-isoquinolyl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-27(29)22-7-6-21(19-8-9-23-16-20(19)22)24-10-11-25-12-14-26(15-13-25)17-18-4-2-1-3-5-18/h1-9,16,24H,10-15,17H2