8-chloranyl-N-(4-imidazol-1-ylbutyl)-11-oxidanylidene-pyrido[2,1-b]quinazoline-2-carboxamide

Systemtic Name: 8-chloranyl-N-(4-imidazol-1-ylbutyl)-11-oxidanylidene-pyrido[2,1-b]quinazoline-2-carboxamide Openeye Name: 8-chloro-N-(4-imidazol-1-ylbutyl)-11-oxo-pyrido[2,1-b]quinazoline-2-carboxamide CAS Name: 8-chloro-N-[4-(1-imidazolyl)butyl]-11-oxo-2-pyrido[2,1-b]quinazolinecarboxamide IUPAC Name: 8-chloro-N-(4-imidazol-1-ylbutyl)-11-oxopyrido[2,1-b]quinazoline-2-carboxamide Traditional Name: 8-chloro-N-(4-imidazol-1-ylbutyl)-11-keto-pyrido[2,1-b]quinazoline-2-carboxamide Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCCCN3C=CN=C3)C(=O)N4C=C(C=CC4=N2)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCCCN3C=CN=C3)C(=O)N4C=C(C=CC4=N2)Cl

InChI

InChI=1S/C20H18ClN5O2/c21-15-4-6-18-24-17-5-3-14(11-16(17)20(28)26(18)12-15)19(27)23-7-1-2-9-25-10-8-22-13-25/h3-6,8,10-13H,1-2,7,9H2,(H,23,27)