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

Systemtic Name: 12-oxidanylidene-N-(2-oxidanyl-2-phenyl-ethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-hydroxy-2-phenyl-ethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-hydroxy-2-phenylethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-hydroxy-2-phenylethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(2-hydroxy-2-phenyl-ethyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c26-19(15-7-3-1-4-8-15)14-23-21(27)16-10-11-17-18(13-16)24-20-9-5-2-6-12-25(20)22(17)28/h1,3-4,7-8,10-11,13,19,26H,2,5-6,9,12,14H2,(H,23,27)