N-[(E)-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]methylideneamino]-2-piperazin-1-yl-ethanamide

Systemtic Name: N-[(E)-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]methylideneamino]-2-piperazin-1-yl-ethanamide Openeye Name: N-[(E)-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]methyleneamino]-2-piperazin-1-yl-acetamide CAS Name: N-[(E)-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]methylideneamino]-2-(1-piperazinyl)acetamide IUPAC Name: N-[(E)-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]methylideneamino]-2-piperazin-1-ylacetamide Traditional Name: N-[(E)-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]methyleneamino]-2-piperazino-acetamide Formula: C21H20BrClN6O MolecularWeight: 487.7801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)NN=CC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1)CC(=O)N/N=C/C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20BrClN6O/c22-14-5-6-18-16(11-14)21(15-3-1-2-4-17(15)23)27-19(26-18)12-25-28-20(30)13-29-9-7-24-8-10-29/h1-6,11-12,24H,7-10,13H2,(H,28,30)/b25-12+