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

Systemtic Name: 5-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]quinolin-8-amine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-nitro-quinolin-8-amine CAS Name: 5-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-8-quinolinamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-nitroquinolin-8-amine Traditional Name: 2-(4-benzylpiperazino)ethyl-(5-nitro-8-quinolyl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)CC4=CC=CC=C4

InChI

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