[2-(4-methylphenoxy)pyridin-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(4-methylphenoxy)pyridin-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [2-(4-methylphenoxy)-3-pyridyl]-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(4-methylphenoxy)-3-pyridinyl]-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(4-methylphenoxy)pyridin-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(4-methylphenoxy)-3-pyridyl]-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-19-7-9-21(10-8-19)30-23-22(6-3-12-26-23)24(29)28-14-4-13-27(15-16-28)18-20-5-2-11-25-17-20/h2-3,5-12,17H,4,13-16,18H2,1H3