10-[1-(azepan-1-yl)propan-2-yl]phenothiazine-2-carbonitrile

Systemtic Name: 10-[1-(azepan-1-yl)propan-2-yl]phenothiazine-2-carbonitrile Openeye Name: 10-[2-(azepan-1-yl)-1-methyl-ethyl]phenothiazine-2-carbonitrile CAS Name: 10-[1-(1-azepanyl)propan-2-yl]-2-phenothiazinecarbonitrile IUPAC Name: 10-[1-(azepan-1-yl)propan-2-yl]phenothiazine-2-carbonitrile Traditional Name: 10-[2-(azepan-1-yl)-1-methyl-ethyl]phenothiazine-2-carbonitrile Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

Isomeric SMILES

CC(CN1CCCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

InChI

InChI=1S/C22H25N3S/c1-17(16-24-12-6-2-3-7-13-24)25-19-8-4-5-9-21(19)26-22-11-10-18(15-23)14-20(22)25/h4-5,8-11,14,17H,2-3,6-7,12-13,16H2,1H3