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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-2-amine Openeye Name: N-[2-(4-chlorophenyl)ethyl]-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-2-amine CAS Name: N-[2-(4-chlorophenyl)ethyl]-7-(1,4-diazepan-1-yl)-6-nitro-2-quinazolinamine IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7-(1,4-diazepan-1-yl)-6-nitroquinazolin-2-amine Traditional Name: 2-(4-chlorophenyl)ethyl-[7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-2-yl]amine Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN6O2/c22-17-4-2-15(3-5-17)6-8-24-21-25-14-16-12-20(28(29)30)19(13-18(16)26-21)27-10-1-7-23-9-11-27/h2-5,12-14,23H,1,6-11H2,(H,24,25,26)