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

Systemtic Name: 12-oxidanylidene-N-(2-piperidin-1-ylcarbonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-[2-(piperidine-1-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-[oxo(1-piperidinyl)methyl]phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-[2-(piperidine-1-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[2-(piperidine-1-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)N5CCCCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)N5CCCCC5)C(=O)N2CC1

InChI

InChI=1S/C26H28N4O3/c31-24(28-21-10-5-4-9-19(21)25(32)29-14-6-2-7-15-29)18-12-13-20-22(17-18)27-23-11-3-1-8-16-30(23)26(20)33/h4-5,9-10,12-13,17H,1-3,6-8,11,14-16H2,(H,28,31)