N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-(2-thienyl)cinchoninamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6)C(=O)N2CC1

InChI

InChI=1S/C27H22N4O2S/c32-26(19-16-23(24-9-6-14-34-24)29-21-8-4-3-7-18(19)21)28-17-11-12-22-20(15-17)27(33)31-13-5-1-2-10-25(31)30-22/h3-4,6-9,11-12,14-16H,1-2,5,10,13H2,(H,28,32)