N-(4-imidazol-1-ylbutyl)-2-methoxy-11-oxidanylidene-pyrido[2,1-b]quinazoline-7-carboxamide

Systemtic Name: N-(4-imidazol-1-ylbutyl)-2-methoxy-11-oxidanylidene-pyrido[2,1-b]quinazoline-7-carboxamide Openeye Name: N-(4-imidazol-1-ylbutyl)-2-methoxy-11-oxo-pyrido[2,1-b]quinazoline-7-carboxamide CAS Name: N-[4-(1-imidazolyl)butyl]-2-methoxy-11-oxo-7-pyrido[2,1-b]quinazolinecarboxamide IUPAC Name: N-(4-imidazol-1-ylbutyl)-2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxamide Traditional Name: N-(4-imidazol-1-ylbutyl)-11-keto-2-methoxy-pyrido[2,1-b]quinazoline-7-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C3C=C(C=CN3C2=O)C(=O)NCCCCN4C=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C3C=C(C=CN3C2=O)C(=O)NCCCCN4C=CN=C4

InChI

InChI=1S/C21H21N5O3/c1-29-16-4-5-18-17(13-16)21(28)26-10-6-15(12-19(26)24-18)20(27)23-7-2-3-9-25-11-8-22-14-25/h4-6,8,10-14H,2-3,7,9H2,1H3,(H,23,27)