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

Systemtic Name: [4-(pyridin-3-ylmethoxy)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-pyridylmethoxy)phenyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(3-pyridinylmethoxy)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(pyridin-3-ylmethoxy)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(3-pyridylmethoxy)phenyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c27-23(26-12-3-11-25(13-14-26)17-22-5-2-15-29-22)20-6-8-21(9-7-20)28-18-19-4-1-10-24-16-19/h1-2,4-10,15-16H,3,11-14,17-18H2