1-[(3-methylpyridin-4-yl)-phenyl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-phenyl-methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-phenyl-methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-phenylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-phenylmethyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-phenyl-methyl]-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=CC=C2)N3CCCNCC3

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CC=C2)N3CCCNCC3

InChI

InChI=1S/C18H23N3/c1-15-14-20-10-8-17(15)18(16-6-3-2-4-7-16)21-12-5-9-19-11-13-21/h2-4,6-8,10,14,18-19H,5,9,11-13H2,1H3