3-(azepan-1-ium-1-yl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 3-(azepan-1-ium-1-yl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one Openeye Name: 3-(azepan-1-ium-1-yl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one CAS Name: 3-(1-azepan-1-iumyl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 3-(azepan-1-ium-1-yl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one Traditional Name: 3-(azepan-1-ium-1-yl)-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one Formula: C21H24N3O+ MolecularWeight: 334.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=C(NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)C2=C(NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21-20(24-14-8-1-2-9-15-24)19(16-10-4-3-5-11-16)22-17-12-6-7-13-18(17)23-21/h3-7,10-13,22H,1-2,8-9,14-15H2,(H,23,25)/p+1