12-oxidanylidene-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-phenylprop-2-ynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC#CC4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC#CC4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C23H21N3O2/c27-22(24-14-7-10-17-8-3-1-4-9-17)18-12-13-19-20(16-18)25-21-11-5-2-6-15-26(21)23(19)28/h1,3-4,8-9,12-13,16H,2,5-6,11,14-15H2,(H,24,27)