N-(4-isoquinolin-4-ylbutyl)-11-oxidanylidene-2-propan-2-yl-pyrido[2,1-b]quinazoline-8-carboxamide

Systemtic Name: N-(4-isoquinolin-4-ylbutyl)-11-oxidanylidene-2-propan-2-yl-pyrido[2,1-b]quinazoline-8-carboxamide Openeye Name: 2-isopropyl-N-[4-(4-isoquinolyl)butyl]-11-oxo-pyrido[2,1-b]quinazoline-8-carboxamide CAS Name: N-[4-(4-isoquinolinyl)butyl]-11-oxo-2-propan-2-yl-8-pyrido[2,1-b]quinazolinecarboxamide IUPAC Name: N-(4-isoquinolin-4-ylbutyl)-11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide Traditional Name: 2-isopropyl-N-[4-(4-isoquinolyl)butyl]-11-keto-pyrido[2,1-b]quinazoline-8-carboxamide Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCCCC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCCCC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C29H28N4O2/c1-19(2)20-10-12-26-25(15-20)29(35)33-18-23(11-13-27(33)32-26)28(34)31-14-6-5-8-22-17-30-16-21-7-3-4-9-24(21)22/h3-4,7,9-13,15-19H,5-6,8,14H2,1-2H3,(H,31,34)