N-[4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]acetamide CAS Name: N-[4-[[[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide Traditional Name: N-[4-[[(6-nitro-7-piperazino-quinazolin-4-yl)amino]methyl]phenyl]acetamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C21H23N7O3/c1-14(29)26-16-4-2-15(3-5-16)12-23-21-17-10-20(28(30)31)19(11-18(17)24-13-25-21)27-8-6-22-7-9-27/h2-5,10-11,13,22H,6-9,12H2,1H3,(H,26,29)(H,23,24,25)