3-(azepan-1-yl)-1-(10H-phenothiazin-2-yl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(10H-phenothiazin-2-yl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(10H-phenothiazin-2-yl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(10H-phenothiazin-2-yl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(10H-phenothiazin-2-yl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(10H-phenothiazin-2-yl)propan-1-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N2OS/c24-19(11-14-23-12-5-1-2-6-13-23)16-9-10-21-18(15-16)22-17-7-3-4-8-20(17)25-21/h3-4,7-10,15,22H,1-2,5-6,11-14H2