12-oxidanylidene-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(4-pyridylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(4-pyridylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=NC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=NC=C4)C(=O)N2CC1

InChI

InChI=1S/C20H20N4O2/c25-19(22-13-14-7-9-21-10-8-14)15-5-6-16-17(12-15)23-18-4-2-1-3-11-24(18)20(16)26/h5-10,12H,1-4,11,13H2,(H,22,25)