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

Systemtic Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-cyclohex-2-enyloxy)phenyl]-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=NC=CS4

Isomeric SMILES

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=NC=CS4

InChI

InChI=1S/C22H27N3O2S/c26-22(18-7-9-20(10-8-18)27-19-5-2-1-3-6-19)25-13-4-12-24(14-15-25)17-21-23-11-16-28-21/h2,5,7-11,16,19H,1,3-4,6,12-15,17H2