4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde Openeye Name: 4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde CAS Name: 4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitro-7-quinazolinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitroquinazolin-7-yl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[2-(4-chlorophenyl)ethylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C=O)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O3/c22-17-3-1-15(2-4-17)5-6-23-21-24-13-16-11-20(28(30)31)19(12-18(16)25-21)27-9-7-26(14-29)8-10-27/h1-4,11-14H,5-10H2,(H,23,24,25)