1-[(5-methylpyridin-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-pyridinyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylpyridin-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C25H29N3O/c1-20-11-12-24(27-18-20)25(28-15-6-13-26-14-16-28)22-9-5-10-23(17-22)29-19-21-7-3-2-4-8-21/h2-5,7-12,17-18,25-26H,6,13-16,19H2,1H3