N-[2-(4-chlorophenyl)ethyl]-6-nitro-7-(4-phenylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6-nitro-7-(4-phenylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6-nitro-7-(4-phenylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-nitro-7-(4-phenyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-nitro-7-(4-phenylpiperazin-1-yl)quinazolin-4-amine Traditional Name: 2-(4-chlorophenyl)ethyl-[6-nitro-7-(4-phenylpiperazino)quinazolin-4-yl]amine Formula: C26H25ClN6O2 MolecularWeight: 488.9687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N=CN=C4NCCC5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N=CN=C4NCCC5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H25ClN6O2/c27-20-8-6-19(7-9-20)10-11-28-26-22-16-25(33(34)35)24(17-23(22)29-18-30-26)32-14-12-31(13-15-32)21-4-2-1-3-5-21/h1-9,16-18H,10-15H2,(H,28,29,30)