4-methyl-5-(3-methylbutoxy)-1-pyridin-3-yl-1,4-diazepane

Systemtic Name: 4-methyl-5-(3-methylbutoxy)-1-pyridin-3-yl-1,4-diazepane Openeye Name: 5-isopentyloxy-4-methyl-1-(3-pyridyl)-1,4-diazepane CAS Name: 4-methyl-5-(3-methylbutoxy)-1-(3-pyridinyl)-1,4-diazepane IUPAC Name: 4-methyl-5-(3-methylbutoxy)-1-pyridin-3-yl-1,4-diazepane Traditional Name: 5-isoamoxy-4-methyl-1-(3-pyridyl)-1,4-diazepane Formula: C16H27N3O MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1CCN(CCN1C)C2=CN=CC=C2

Isomeric SMILES

CC(C)CCOC1CCN(CCN1C)C2=CN=CC=C2

InChI

InChI=1S/C16H27N3O/c1-14(2)7-12-20-16-6-9-19(11-10-18(16)3)15-5-4-8-17-13-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3