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

Systemtic Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-cyclohex-2-enyloxy)phenyl]-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c28-24(21-9-11-23(12-10-21)29-22-7-2-1-3-8-22)27-15-5-14-26(16-17-27)19-20-6-4-13-25-18-20/h2,4,6-7,9-13,18,22H,1,3,5,8,14-17,19H2