N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN5O2/c22-14-7-8-16-15(12-14)21(29)27(13-24-16)11-9-20(28)23-10-3-6-19-25-17-4-1-2-5-18(17)26-19/h1-2,4-5,7-8,12-13H,3,6,9-11H2,(H,23,28)(H,25,26)