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

Systemtic Name: [2-(4-methylphenoxy)pyridin-3-yl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [2-(4-methylphenoxy)-3-pyridyl]-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(4-methylphenoxy)-3-pyridinyl]-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(4-methylphenoxy)pyridin-3-yl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(4-methylphenoxy)-3-pyridyl]-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-18-5-7-20(8-6-18)28-22-21(4-2-10-24-22)23(27)26-12-3-11-25(13-14-26)16-19-9-15-29-17-19/h2,4-10,15,17H,3,11-14,16H2,1H3