[6-(3-oxidanylpropylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone

Systemtic Name: [6-(3-oxidanylpropylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone Openeye Name: [6-(3-hydroxypropylamino)-3-pyridyl]-(4-phenylazepan-1-yl)methanone CAS Name: [6-(3-hydroxypropylamino)-3-pyridinyl]-(4-phenyl-1-azepanyl)methanone IUPAC Name: [6-(3-hydroxypropylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone Traditional Name: [6-(3-hydroxypropylamino)-3-pyridyl]-(4-phenylazepan-1-yl)methanone Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CN=C(C=C2)NCCCO)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2=CN=C(C=C2)NCCCO)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c25-15-5-12-22-20-10-9-19(16-23-20)21(26)24-13-4-8-18(11-14-24)17-6-2-1-3-7-17/h1-3,6-7,9-10,16,18,25H,4-5,8,11-15H2,(H,22,23)