4-naphthalen-1-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one

Systemtic Name: 4-naphthalen-1-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Openeye Name: 4-(1-naphthyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one CAS Name: 4-(1-naphthalenyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one IUPAC Name: 4-naphthalen-1-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Traditional Name: 4-(1-naphthyl)-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepin-2-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NC(=O)N2)C3=CC=CC4=CC=CC=C43)C1

Isomeric SMILES

C1CCN=C2C(=C(NC(=O)N2)C3=CC=CC4=CC=CC=C43)C1

InChI

InChI=1S/C18H17N3O/c22-18-20-16(15-9-3-4-11-19-17(15)21-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10H,3-4,9,11H2,(H2,19,20,21,22)