(4-cyclohex-2-en-1-yloxyphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-cyclohex-2-enyloxy)phenyl]-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C23H28N2O2S/c26-23(20-7-9-22(10-8-20)27-21-5-2-1-3-6-21)25-13-4-12-24(14-15-25)17-19-11-16-28-18-19/h2,5,7-11,16,18,21H,1,3-4,6,12-15,17H2